Revision: 1682 | 2024-09-30 10:21:51 | Windows Build: | |
Revision: 1681 | 2024-09-30 10:08:59 | Windows Build: | + finally better placed labels. |
Revision: 1680 | 2024-09-26 11:36:29 | Windows Build: | |
Revision: 1679 | 2024-09-26 11:11:47 | Windows Build: | + testing a offset for labels. |
Revision: 1678 | 2024-08-29 09:02:08 | Windows Build: | |
Revision: 1677 | 2024-08-29 08:48:37 | Windows Build: | + hkl tag again before HKLF instruction, previous solution is gone after refinement. + it created a syntax error on first refinement after xt. |
Revision: 1676 | 2024-08-26 11:13:21 | Windows Build: | |
Revision: 1675 | 2024-08-26 10:57:44 | Windows Build: | + hkl tag after HKLF instruction + duplicate atoms where not highlighted in rename mode. |
Revision: 1674 | 2024-08-21 19:23:45 | Windows Build: | |
Revision: 1673 | 2024-08-21 12:34:28 | Mac Build: | + fixing more FREE BIND bugs... |
Revision: 1672 | 2024-08-20 16:01:50 | Windows Build: | |
Revision: 1671 | 2024-08-20 13:20:27 | Windows Build: | + Fixed issue with FREE and BIND with symmetry equivalent _$n + hkl tag contained an absolute path which can be an privacy issue. Now it's just the hkl file name instead |
Revision: 1670 | 2024-08-19 08:53:55 | Windows Build: | |
Revision: 1669 | 2024-08-19 08:32:02 | Windows Build: | + BIND with EQUIV sometimes created strange extra symmetry generated fragments. + 'xle-bond-list.txt' for debugging was created. |
Revision: 1668 | 2024-08-02 11:14:00 | Windows Build: | |
Revision: 1667 | 2024-08-02 11:00:05 | Windows Build: | + issues refining squeezed structures fixed. |
Revision: 1666 | 2024-08-01 06:42:40 | Windows Build: | |
Revision: 1665 | 2024-08-01 06:22:50 | Windows Build: | + pack inside given limits: bonds for part -n fixed. + hydrogen bonds for part -n Fixed issue |
Revision: 1664 | 2024-07-29 11:00:50 | Windows Build: | |
Revision: 1663 | 2024-07-29 10:05:39 | Windows Build: | + FREE and BIND combined with EQIV $N should now work. |
Revision: 1662 | 2024-07-23 09:05:19 | Windows Build: | |
Revision: 1661 | 2024-07-23 08:03:59 | Windows Build: | + skipping tiny triangles in maps. + sometimes maps where not rendered even when fcf6 was present. + on some graphic cards maps could result in a pseudo freeze. (probably fixed) + reducing reallocations on rectangular atom selection. + DSR internal option handling improved. |
Revision: 1660 | 2024-07-02 10:35:47 | Windows Build: | |
Revision: 1659 | 2024-07-02 10:07:09 | Mac Build: | + Render labels in a separate file did not work on MacOS |
Revision: 1658 | 2024-07-01 08:02:35 | Windows Build: | |
Revision: 1657 | 2024-07-01 07:43:12 | Windows Build: | + Fourier map settings now stored after changing instead of when closing ShelXle. + structure factor radio buttons in rename mode had size issues on HDPI screens. + render labels in separate file was broken for a while. |
Revision: 1656 | 2024-06-27 06:47:17 | Windows Build: | |
Revision: 1655 | 2024-06-27 06:20:18 | Windows Build: | + refinement worked only in verbosity level > 4 as intended. + WPDB did not work. |
Revision: 1654 | 2024-06-21 09:26:03 | Windows Build: | |
Revision: 1653 | 2024-06-21 09:04:37 | Windows Build: | + hkl tag was not always removed before refinement. + cif file was not copied back from refinement folder. + if res file did not exist refinement did not work. + stop gracefully did not work. |
Revision: 1652 | 2024-06-19 08:52:17 | Windows Build: | |
Revision: 1651 | 2024-06-19 08:29:57 | Windows Build: | + fixed issue with long file paths to working directory + switch2HKLF5 and switch2HKLF4 buttons next to HKLSelector |
Revision: 1650 | 2024-06-18 09:13:55 | Windows Build: | |
Revision: 1649 | 2024-06-18 08:52:59 | Windows Build: | + dsr manual link updated. + Alpha values of labels colors: values < 3 now result always in invisible background. + BIND and FREE did not use Residue specification like BIND_3 C1 C2. + HKL file selector to choose hkl files in the work folder. Selector defaults to basename.hkl on file load. A remark is set before HKLF instruction. |
Revision: 1648 | 2024-05-24 10:04:39 | Windows Build: | |
Revision: 1647 | 2024-05-24 09:38:34 | Windows Build: | + in free rotation mode only the left branch moves with [crtl + alt + middle mouse button ] + a missing HKLF caused a crash when creating a centroid. |
Revision: 1646 | 2024-05-17 10:09:52 | Windows Build: | |
Revision: 1645 | 2024-05-17 09:48:06 | Windows Build: | + reloading larger structures signal problems fixed. |
Revision: 1644 | 2024-05-15 11:06:12 | Windows Build: | |
Revision: 1643 | 2024-05-15 10:48:50 | Windows Build: | + splitRotate can now invert right and left branch. |
Revision: 1642 | 2024-05-07 10:48:29 | Windows Build: | |
Revision: 1641 | 2024-05-07 10:31:51 | Windows Build: | |
Revision: 1640 | 2024-05-07 10:27:40 | Mac Build: | + accept drop of res files again. |
Revision: 1639 | 2024-05-07 08:49:29 | Windows Build: | + fixes in AutoLabeling. + fixes in rename_selected. + fixes in clearStructure. |
Revision: 1638 | 2024-04-25 11:10:41 | Windows Build: | |
Revision: 1637 | 2024-04-25 10:54:42 | Windows Build: | + fixing some background thread issues. |
Revision: 1636 | 2024-04-19 07:10:31 | Windows Build: | |
Revision: 1635 | 2024-04-19 06:34:26 | Windows Build: | + SaveHistoryWidget now has the current file for comparison on the right. Different file names are filtered again. + HistoryWidget no longer saves and loads fcf files they are calculated from structure and hkl file instead. + saveAs now also copies the hkl file to the new name scheme (if it exists and target not yet). |
Revision: 1634 | 2024-04-15 11:23:55 | Windows Build: | |
Revision: 1633 | 2024-04-15 11:13:12 | Windows Build: | + some fixes for SaveHistoryWidget |
Revision: 1632 | 2024-04-12 10:17:46 | Windows Build: | |
Revision: 1631 | 2024-04-12 09:34:47 | Windows Build: | + fixing problem with detached programs using cmd.exe |
Revision: 1630 | 2024-04-10 14:16:19 | Windows Build: | qt6.7 |
Revision: 1629 | 2024-04-10 12:39:14 | Windows Build: | + SaveHistoryWidget redesigned with a QTableWidget. |
Revision: 1628 | 2024-04-05 12:14:26 | Windows Build: | |
Revision: 1627 | 2024-04-05 11:59:01 | Windows Build: | + drag-drop support for cif and pdb do not use large molecules! |
Revision: 1626 | 2024-04-03 09:42:47 | Windows Build: | |
Revision: 1625 | 2024-04-03 09:29:17 | Windows Build: | + missing files added |
Revision: 1624 | 2024-04-03 09:16:16 | Windows Build: | + save history: item order reversed, more items per column. + if number of atoms in asymmetric unit exceeds limit then shortest distance matrix is calculated in the background. |
Revision: 1623 | 2024-03-14 11:56:09 | Windows Build: | |
Revision: 1622 | 2024-03-14 10:26:50 | Windows Build: | + squeeze is possible if platon.exe is in PATH. |
Revision: 1621 | 2024-03-05 12:45:17 | Windows Build: | |
Revision: 1620 | 2024-03-05 12:11:48 | Windows Build: | |
Revision: 1619 | 2024-03-05 12:01:17 | Windows Build: | |
Revision: 1618 | 2024-03-05 11:42:51 | Windows Build: | + default path for special edition |
Revision: 1617 | 2024-03-05 09:24:45 | Windows Build: | |
Revision: 1616 | 2024-03-05 07:50:56 | Windows Build: | + tests for special edition |
Revision: 1615 | 2024-03-01 12:33:16 | Windows Build: | |
Revision: 1614 | 2024-03-01 11:26:03 | Windows Build: | + movie file creation improved |
Revision: 1613 | 2024-02-20 06:40:24 | Windows Build: | |
Revision: 1612 | 2024-02-20 06:17:19 | Windows Build: | + toggle ADP did not update on qt5 |
Revision: 1611 | 2024-02-12 10:02:11 | Mac Build: | context menu is back on mac |
Revision: 1610 | 2024-02-12 07:38:46 | Windows Build: | |
Revision: 1609 | 2024-02-12 06:47:06 | Windows Build: | + bonds to new fixed Hydrogen atoms were not shown. |
Revision: 1608 | 2024-02-07 05:32:53 | Mac Build: | + QContextMenuEvent issue on mac |
Revision: 1607 | 2024-02-06 14:23:24 | Windows Build: | |
Revision: 1606 | 2024-02-06 14:08:12 | Windows Build: | + "HFIX only on suitable atoms" was rejecting small but proper ADPs. + non positive definite atom cubes were too large in non GS shader. |
Revision: 1605 | 2024-02-05 12:58:40 | Windows Build: | |
Revision: 1604 | 2024-02-05 12:42:56 | Windows Build: | + non positive definite atoms were not always displayed as cubes. fixed. + size of isotropic and anisotropic ADPs was different from previous shaders. fixed. + contextMenuEvent behavior was different from 1506. |
Revision: 1603 | 2024-01-22 14:30:14 | Windows Build: | |
Revision: 1602 | 2024-01-22 13:59:05 | Windows Build: | |
Revision: 1601 | 2024-01-22 10:09:04 | Windows Build: | |
Revision: 1600 | 2024-01-22 09:14:31 | Windows Build: | + AulaWorker is now in its own file. |
Revision: 1599 | 2024-01-22 09:06:39 | Windows Build: | + replacing geometry shader for atoms for faster rendering and better compatibility. GS is still there by unticking 'do not use geometry shader for atoms' |
Revision: 1598 | 2024-01-10 12:29:57 | Windows Build: | |
Revision: 1597 | 2024-01-10 12:14:47 | Windows Build: | + some export issues fixed |
Revision: 1596 | 2024-01-08 08:22:10 | Windows Build: | |
Revision: 1595 | 2024-01-08 07:49:22 | Windows Build: | + fixed: issues of hide part -n ghost and q-peaks issues + editor has new button "Replace Here to End". |
Revision: 1594 | 2023-12-19 12:35:19 | Windows Build: | |
Revision: 1593 | 2023-12-19 12:08:55 | Windows Build: | + pre compiler switches for qt6 |
Revision: 1592 | 2023-12-19 11:53:56 | Windows Build: | + color settings for overlay atoms (selected, focus, duplicates) |
Revision: 1591 | 2023-12-04 11:30:36 | Windows Build: | |
Revision: 1590 | 2023-12-04 10:16:51 | Windows Build: | + RX580 draws atoms now. |
Revision: 1589 | 2023-11-29 09:05:17 | Windows Build: | |
Revision: 1588 | 2023-11-29 08:42:22 | Windows Build: | + Deuterium atoms were not rendered in their different color. + defaults for maps changed. + FREE and BIND were not reflected in fragment numbers. |
Revision: 1587 | 2023-11-27 07:31:49 | Mac Build: | + macOs needs a core profile + reduced text output. |
Revision: 1586 | 2023-11-24 12:29:08 | Windows Build: | + drawMap obsolete. + env.insert("MESA_GL_VERSION_OVERRIDE","3.3COMPAT");//DSR uses fixed pipeline + isMainWindow needs just to check it's not the styles dialog |
Revision: 1585 | 2023-11-21 14:39:25 | Windows Build: | |
Revision: 1584 | 2023-11-21 14:25:36 | Windows Build: | + shaders.qrc got out of sync. |
Revision: 1583 | 2023-11-21 14:03:58 | Windows Build: | |
Revision: 1582 | 2023-11-21 12:58:51 | Windows Build: | + Software rendering had problems with shaders for unit cell and ENVI bonds => fixed. |
Revision: 1581 | 2023-11-20 15:19:57 | Linux Build: | + excluded windows specific code. |
Revision: 1580 | 2023-11-20 15:10:08 | Windows Build: | |
Revision: 1579 | 2023-11-20 14:51:24 | Windows Build: | + software rendering requires "MESA_GL_VERSION_OVERRIDE" = "3.3FC" |
Revision: 1578 | 2023-11-20 13:53:42 | Windows Build: | |
Revision: 1577 | 2023-11-20 12:46:59 | Windows Build: | + OpenGL issues on Windows? Menu->File->"try ShelXle with software rendering" this will restart ShelXle and will be slower than hardware rendering. |
Revision: 1576 | 2023-11-14 15:37:05 | ||
Revision: 1575 | 2023-11-14 15:24:41 | Windows Build: | |
Revision: 1574 | 2023-11-14 12:06:49 | Windows Build: | + Most Disagreeable Reflections had a non monospace font which led to ugly alignment. + Molecule is not rescaled after load Refinement results. |
Revision: 1573 | 2023-11-08 14:50:16 | Windows Build: | |
Revision: 1572 | 2023-11-08 13:55:31 | Windows Build: | + dsr: selectionChanged was not always emitted to update dsr |
Revision: 1571 | 2023-11-06 08:50:16 | Windows Build: | |
Revision: 1570 | 2023-11-06 08:29:11 | Windows Build: | + crash when atom styles is opened fixed. |
Revision: 1569 | 2023-11-03 13:46:15 | Windows Build: | |
Revision: 1568 | 2023-11-03 13:26:40 | Windows Build: | |
Revision: 1567 | 2023-11-03 13:16:34 | Windows Build: | + optional Residue Highlighting. |
Revision: 1566 | 2023-11-01 09:08:51 | Windows Build: | |
Revision: 1565 | 2023-11-01 08:45:41 | Windows Build: | + some h-bonds were drawn as normal bonds. |
Revision: 1564 | 2023-10-27 10:54:55 | Windows Build: | |
Revision: 1563 | 2023-10-27 10:39:00 | Windows Build: | + freeze when remove H atoms when AFIX is not closed by AFIX 0 before HKLF. |
Revision: 1562 | 2023-10-23 13:50:33 | Mac Build: | + this to nullptr to prevent casting error |
Revision: 1561 | 2023-10-23 13:11:21 | Windows Build: | |
Revision: 1560 | 2023-10-23 12:46:08 | Windows Build: | + some shaders added |
Revision: 1559 | 2023-10-23 12:43:29 | Windows Build: | + there is no way around buggy AMD cards! + fab files can now also be shred from CIF files |
Revision: 1558 | 2023-10-10 09:32:06 | Windows Build: | + some fixes |
Revision: 1557 | 2023-10-09 12:13:27 | Windows Build: | + an attempt to fix the old AMD graphic card shader issues. To be tested. |
Revision: 1556 | 2023-09-06 20:15:18 | Windows Build: | |
Revision: 1555 | 2023-09-06 13:38:25 | Windows Build: | + save and load orientation was not working. Files have now a new format. + idle rotation did not work. + moving the structure was not in sync with mouse in orthographic mode |
Revision: 1554 | 2023-08-15 09:09:38 | Windows Build: | + crash when toggling ball-stick/tubes without stucture loaded fixed. |
Revision: 1553 | 2023-08-15 08:53:32 | Windows Build: | + hidden atoms showed up again when a atom is renamed. |
Revision: 1552 | 2023-08-04 10:19:35 | Windows Build: | |
Revision: 1551 | 2023-08-04 10:07:14 | Windows Build: | |
Revision: 1550 | 2023-08-04 09:58:01 | Windows Build: | + hide part -N ghost was not working + hidden q-peaks still had a contextMenuEvent + minor improvements to BIND and FREE |
Revision: 1549 | 2023-07-26 17:41:38 | Windows Build: | |
Revision: 1548 | 2023-07-26 11:30:49 | Windows Build: | + Editor font was always reset to SourceCodePro |
Revision: 1547 | 2023-07-23 07:50:53 | Windows Build: | |
Revision: 1546 | 2023-07-22 21:11:06 | Windows Build: | + editor font size is better stored in settings. + shred a CIF and load its res does not require shredCIF.exe anymore. If there are more than one res file in the CIF file the first one is loaded the others appear in the recent file history. (File menu) |
Revision: 1545 | 2023-07-19 12:12:39 | Windows Build: | |
Revision: 1544 | 2023-07-19 11:56:56 | Windows Build: | + rotation center was reset on reload. + font size was reset to 24 on load. + ENVI changing settings (exclude q-peaks, only covalent bonds and ENVI rage) call showEnvi now. + several fixes in show symmetry elements. |
Revision: 1543 | 2023-07-14 17:56:11 | Windows Build: | |
Revision: 1542 | 2023-07-14 17:42:46 | Windows Build: | + fixed: RESI number was not always read correctly. + fixed: toggle Ortho view was broken. + workaround: shredCIF screen output appears to be broken. Work around should do it. |
Revision: 1541 | 2023-07-10 16:58:17 | Windows Build: | + default editor font changed to SourceCodePro |
Revision: 1540 | 2023-07-10 14:43:35 | Windows Build: | + POV-ray export was broken. + default of HFIX only on suitable atoms changed. + Editor font size was not stored in correct way to settings. + search was not visible for list file if editor is also visible. |
Revision: 1539 | 2023-07-03 11:19:56 | Windows Build: | |
Revision: 1538 | 2023-07-03 10:53:01 | Windows Build: | + atom styles changes to colors are directly used. + part highlighting is now also on bonds. + q-peaks stay hidden in rename mode. + window state is restored when loaded with file argument of via drop on exe icon. |
Revision: 1537 | 2023-06-30 10:52:32 | Windows Build: | + grow ENVI + show only ENVI + complete functionality fixed + symmetry manager was broken |
Revision: 1536 | 2023-06-30 10:40:42 | Windows Build: | + checked buttons have a green frame now. + some bugs fixed. |
Revision: 1535 | 2023-06-27 20:00:20 | Windows Build: | |
Revision: 1534 | 2023-06-27 19:51:53 | Windows Build: | |
Revision: 1533 | 2023-06-27 19:51:05 | Windows Build: | + shaders added |
Revision: 1532 | 2023-06-27 14:38:43 | Windows Build: | + fixed: qPeaks remained hidden after reload. + fixed: hidden qPeaks were focus and selectable. + fixed: highlighting of symmetry equivalents was always on. + edit atom styles: one can change demo molecule. + edit atom styles: settings for label color, selected label and in focus label color including label backgrounds. |
Revision: 1531 | 2023-06-22 13:47:23 | Windows Build: | |
Revision: 1530 | 2023-06-22 11:24:22 | Windows Build: | + DSR had wrong atom style. + Edit atom styles: MultiStyle uses a common default if all selected atoms have the same style. + Label background color is now more transparent for selected and atoms in focus => this will be user adjustable in future. + shift + drag with right mouse button scales the atom legend. + testing to use OpenGL 3.3 as requirement. |
Revision: 1529 | 2023-06-07 06:13:01 | Windows Build: | |
Revision: 1528 | 2023-06-07 06:01:01 | Windows Build: | + style dialog fixed + shader GLSL requirement set down to 4.0 |
Revision: 1527 | 2023-06-05 08:35:59 | Windows Build: | |
Revision: 1526 | 2023-06-05 06:27:44 | Windows Build: | |
Revision: 1525 | 2023-06-05 06:17:12 | Mac Build: | |
Revision: 1524 | 2023-06-05 05:27:27 | Windows Build: | |
Revision: 1523 | 2023-06-02 13:40:31 | Windows Build: | + number of free variables used: was counting sometimes q-peaks + rename suffix was at wrong index when opened a 2nd time + atom styles dialog completely reworked |
Revision: 1522 | 2023-05-26 12:36:52 | Windows Build: | |
Revision: 1521 | 2023-05-26 12:23:58 | Windows Build: | + hiding h issues fixed. |
Revision: 1520 | 2023-05-25 13:54:03 | Windows Build: | |
Revision: 1519 | 2023-05-25 13:33:29 | Windows Build: | + some bug fixes. still not a stable version. |
Revision: 1518 | 2023-05-23 06:06:40 | Windows Build: | |
Revision: 1517 | 2023-05-23 05:29:18 | Windows Build: | + split rotate is back. + WGHT refine: better behavior if max cycles is set to greater 10 |
Revision: 1516 | 2023-05-10 06:42:06 | Windows Build: | |
Revision: 1515 | 2023-05-10 06:12:56 | Windows Build: | + 'Change Elements of Selection to ...' |
Revision: 1514 | 2023-05-05 09:55:33 | Windows Build: | + symmetry elements visualization is back! |
Revision: 1513 | 2023-04-21 11:49:51 | Windows Build: | |
Revision: 1512 | 2023-04-21 11:41:26 | Windows Build: | + some adjustments to Legend. + structure was not shown when file was given as argument. + OVERRIDEF000 fixed. + missing checkfps.png |
Revision: 1511 | 2023-04-20 10:28:01 | Windows Build: | |
Revision: 1510 | 2023-04-20 09:58:11 | Windows Build: | + test release opengl 4.1 Shader version (unfinished) |
Revision: 1509 | 2023-04-17 07:17:35 | Mac Build: | + meassure FPS of new shaders (too slow on my macBookAir :-( ) |
Revision: 1508 | 2023-04-14 13:15:01 | Windows Build: | + OpenGL4 shaders in main program!! |
Revision: 1507 | 2023-03-30 13:03:50 | Windows Build: | shaders for unit cell, contours and symmetry elements (unfinished) |
Revision: 1506 | 2023-03-26 13:57:37 | Windows Build: | |
Revision: 1505 | 2023-03-26 11:14:59 | Windows Build: | + voronoij shaders |
Revision: 1504 | 2023-03-21 17:05:30 | Windows Build: | + qopenglwindow, Legend, Context menu in new shader window. |
Revision: 1503 | 2023-03-18 19:01:39 | Windows Build: | + homeXY did not work. |
Revision: 1502 | 2023-03-18 11:01:21 | Windows Build: | |
Revision: 1501 | 2023-03-18 08:51:20 | Windows Build: | + shaders for mesh and background |
Revision: 1500 | 2023-03-13 12:50:15 | Windows Build: | + shaders more uniform switches. Curious people try windows+shift+a :-) |
Revision: 1499 | 2023-03-07 07:23:42 | Windows Build: | |
Revision: 1498 | 2023-03-06 16:08:19 | Windows Build: | + fixed pov ray export |
Revision: 1497 | 2023-03-06 14:35:20 | Windows Build: | |
Revision: 1496 | 2023-03-06 14:33:08 | Windows Build: | |
Revision: 1495 | 2023-03-06 14:24:32 | Windows Build: | shaders in an extra qrc |
Revision: 1494 | 2023-03-06 14:16:48 | Windows Build: | + fixed crash on trans uranium explicit SFAC instructions + shaders |
Revision: 1493 | 2023-02-26 16:46:15 | Linux Build: | + shader |
Revision: 1492 | 2023-02-24 20:46:14 | Mac Build: | + moved shaders into their own directory |
Revision: 1491 | 2023-02-24 13:18:48 | Windows Build: | + shaders for atoms added |
Revision: 1490 | 2023-02-15 15:50:14 | Windows Build: | |
Revision: 1489 | 2023-02-15 14:57:09 | Windows Build: | + shader experiments + visualization of symmetry elements was broken. + fcvsfo table of selected atoms had to less space on some computers. |
Revision: 1488 | 2023-02-08 13:29:05 | Windows Build: | + test shader |
Revision: 1487 | 2023-02-01 12:33:09 | Windows Build: | |
Revision: 1486 | 2023-02-01 12:20:50 | Windows Build: | + fix labels did not change on reload. |
Revision: 1485 | 2023-01-31 13:19:56 | Windows Build: | |
Revision: 1484 | 2023-01-31 13:05:07 | Windows Build: | + fixing high DPI issues in qt6 qnd openGL. |
Revision: 1483 | 2023-01-30 10:38:25 | Windows Build: | + some shaders added |
Revision: 1482 | 2023-01-27 13:36:56 | Windows Build: | + testing shaders... |
Revision: 1481 | 2023-01-23 14:26:22 | Windows Build: | |
Revision: 1480 | 2023-01-23 13:58:04 | Mac Build: | + some things do not work on mac... |
Revision: 1479 | 2023-01-23 13:17:33 | Windows Build: | + playing with shaders |
Revision: 1478 | 2023-01-20 12:48:27 | Windows Build: | |
Revision: 1477 | 2023-01-20 12:33:49 | Windows Build: | + SHELX and Tools menu rearranged + External programs dialog has an Apply button now |
Revision: 1476 | 2023-01-17 06:58:51 | Windows Build: | |
Revision: 1475 | 2023-01-17 06:45:36 | Windows Build: | + fixed: missbehaving text cursor |
Revision: 1474 | 2023-01-13 08:58:07 | Windows Build: | |
Revision: 1473 | 2023-01-13 08:48:19 | Windows Build: | + fixing pale up signals in editor |
Revision: 1472 | 2023-01-11 14:38:49 | Windows Build: | |
Revision: 1471 | 2023-01-11 14:30:27 | Windows Build: | |
Revision: 1470 | 2023-01-11 14:24:59 | Windows Build: | + missing file added |
Revision: 1469 | 2023-01-11 14:16:28 | Windows Build: | + some renewed icons + Renaming is maybe a bit faster now. |
Revision: 1468 | 2022-12-19 12:46:15 | Windows Build: | |
Revision: 1467 | 2022-12-19 12:37:38 | Windows Build: | |
Revision: 1466 | 2022-12-19 12:30:51 | Windows Build: | |
Revision: 1465 | 2022-12-19 12:07:48 | Windows Build: | + Atom styles settings for q-peak-bond line width |
Revision: 1464 | 2022-11-29 12:26:51 | Windows Build: | |
Revision: 1463 | 2022-11-29 12:14:12 | Windows Build: | + fix: dsr invert now re fits the stucture without extra click. + crashfix: 'fix some parameters' |
Revision: 1462 | 2022-11-28 08:57:54 | Windows Build: | |
Revision: 1461 | 2022-11-28 08:40:07 | Windows Build: | + fixed: depth test in DSR was not active and lead to disturbed view. + fixed: 'invert coordinates' mirrored coordinates and selection was shuffled. + fixed: 'Replace SFAC by elastic electron atomic scattering factors' did not insert ED scattering factors. |
Revision: 1460 | 2022-11-16 09:24:36 | ||
Revision: 1459 | 2022-11-16 09:12:02 | Windows Build: | + corrected some text for free rotate check box in split rotate |
Revision: 1458 | 2022-11-14 14:36:13 | Windows Build: | |
Revision: 1457 | 2022-11-14 14:28:39 | Windows Build: | + crashfix when there were unsaved changes before auto labeling |
Revision: 1456 | 2022-11-14 13:11:34 | Windows Build: | |
Revision: 1455 | 2022-11-14 12:52:19 | Windows Build: | + drawText style labels in DSR + Free rotation modus in splitRotate + splitRotate EXYZ and EADP if atoms are too close (0.1A) + splitRotate Labels in 2nd Part can be altered to Label' |
Revision: 1454 | 2022-11-08 08:49:18 | Windows Build: | |
Revision: 1453 | 2022-11-08 08:39:23 | Windows Build: | + AuLa fix for with residues |
Revision: 1452 | 2022-11-08 07:39:56 | Windows Build: | + QElapsedTimer instead of QTime |
Revision: 1451 | 2022-11-08 06:50:02 | Windows Build: | + auto lableling works now faster. (All instructions (except PART) bewteen the atoms will get lost) |
Revision: 1450 | 2022-11-01 14:20:40 | Windows Build: | + a signal is emmited when GL stuff is initialized |
Revision: 1449 | 2022-10-20 07:23:35 | Windows Build: | |
Revision: 1448 | 2022-10-20 06:35:30 | Mac Build: | + Qt major version in window title also when file is loaded |
Revision: 1447 | 2022-10-18 12:05:06 | Windows Build: | + signed installers |
Revision: 1446 | 2022-10-18 11:59:38 | Windows Build: | + A qt6 version installer |
Revision: 1445 | 2022-10-18 08:14:45 | Windows Build: | + changes for qt5 |
Revision: 1444 | 2022-10-18 06:25:33 | Mac Build: | + Qt major version in Window title + Colored q-peaks in atom styles |
Revision: 1443 | 2022-10-17 19:00:12 | Mac Build: | + no new dsr versons on mac, so update check is disabled + refine XL QProcess signal error repalced errorOccurred |
Revision: 1442 | 2022-10-17 14:13:15 | Windows Build: | + loading files works! |
Revision: 1441 | 2022-10-16 15:06:04 | Mac Build: | + qt6 atom styles works. + qt6 dsr works. |
Revision: 1440 | 2022-10-15 07:01:22 | Linux Build: | revert some changes that qt6 brach still compiles with qt5.12.8 (ubuntu) |
Revision: 1439 | 2022-10-13 21:35:04 | Mac Build: | + removed Gestures |
Revision: 1438 | 2022-10-13 20:56:09 | branch was in trunk | |
Revision: 1437 | 2022-10-13 20:34:57 | created a trunk and moved stuff in there | |
Revision: 1436 | 2022-10-13 15:47:32 | delete not qt 6 related directories | |
Revision: 1435 | 2022-10-13 15:41:44 | try to port to qt6 | |
Revision: 1434 | 2022-10-06 08:18:18 | Windows Build: | |
Revision: 1433 | 2022-10-06 07:50:27 | Windows Build: | + FIX: switch to HKLF5 was not working when tried the first time. + FIX: shelxl options where not stored under Linux. |
Revision: 1432 | 2022-09-21 05:33:26 | Windows Build: | |
Revision: 1431 | 2022-09-21 05:19:27 | Windows Build: | |
Revision: 1430 | 2022-09-15 11:39:24 | Windows Build: | + fix visulization of pick radius and cmd+shift selection rectangle was wrong. |
Revision: 1429 | 2022-09-15 11:34:14 | Windows Build: | + texting a fix for mac os |
Revision: 1428 | 2022-09-15 07:38:00 | Windows Build: | |
Revision: 1427 | 2022-09-15 07:00:08 | Windows Build: | + selected atoms drawn less transparent. + pick radius spin box moved to rename dock widget + pick radius spin box with an explaining WhatsThis |
Revision: 1426 | 2022-09-12 08:21:06 | Windows Build: | |
Revision: 1425 | 2022-09-12 08:03:47 | Windows Build: | + wiremodell replaced by filled polyeders to prevent flickering on some graphics drivers. |
Revision: 1424 | 2022-09-09 09:20:51 | Windows Build: | |
Revision: 1423 | 2022-09-09 09:01:25 | Windows Build: | |
Revision: 1422 | 2022-09-09 08:50:23 | Windows Build: | + DSR has labelTextures now. + DSR was raising setGeometry errors + DSR Layout slightly changed which fixed setGeometry errors. |
Revision: 1421 | 2022-09-05 06:20:07 | Windows Build: | just signing this is same as 1420. |
Revision: 1420 | 2022-09-05 06:18:21 | Windows Build: | |
Revision: 1419 | 2022-09-05 05:57:05 | Windows Build: | + fixed: doWeHaveHKLF5here() takes too much time. |
Revision: 1418 | 2022-09-01 14:21:26 | ||
Revision: 1417 | 2022-09-01 11:33:31 | Windows Build: | + fixed: DSR did not show atoms + DSR atoms have now half the radius than in the main window. |
Revision: 1416 | 2022-07-28 12:21:23 | Windows Build: | |
Revision: 1415 | 2022-07-28 12:07:19 | Windows Build: | + texture labels instead of Qt-renderText (was optional before) + cleanup unused code |
Revision: 1414 | 2022-07-25 08:55:40 | Windows Build: | |
Revision: 1413 | 2022-07-25 08:43:07 | Windows Build: | + fix splitRotate crashed. |
Revision: 1412 | 2022-07-21 12:31:06 | Windows Build: | |
Revision: 1411 | 2022-07-21 10:00:46 | Windows Build: | + plot atomic scattering factors (SFAC) tabulated in Interantional Tabels and insert them in res file. |
Revision: 1410 | 2022-07-12 10:24:37 | ||
Revision: 1409 | 2022-07-12 10:04:40 | Windows Build: | + crystallographic calculator has now a tab to compute resolution of a reflection |
Revision: 1408 | 2022-07-07 13:29:17 | Windows Build: | |
Revision: 1407 | 2022-07-07 13:14:59 | Windows Build: | + Fixed: visibilty of some tool bars when rename dock is visible was wrong. |
Revision: 1406 | 2022-07-05 10:51:58 | ||
Revision: 1405 | 2022-07-05 10:28:47 | Windows Build: | + rearranging FileMenu |
Revision: 1404 | 2022-07-05 07:08:13 | ||
Revision: 1403 | 2022-07-05 07:00:59 | Windows Build: | |
Revision: 1402 | 2022-07-05 06:41:06 | Windows Build: | + Editor resizes on file load so that no horizontal should be visible. After some time dock widget can be made smaller again by the user + fixed: Atom Colors where not loaded from ini file. |
Revision: 1401 | 2022-06-30 14:09:22 | Windows Build: | |
Revision: 1400 | 2022-06-30 13:37:03 | Windows Build: | |
Revision: 1399 | 2022-06-30 13:07:05 | Windows Build: | + Electron diffaction scattering factors for atom and ions |
Revision: 1398 | 2022-06-28 11:10:39 | Windows Build: | |
Revision: 1397 | 2022-06-28 10:29:56 | Windows Build: | + toggling between H and D by pressing [SHIFT] when periodic table of elements is visible + remove GLSL check box in atom style settings |
Revision: 1396 | 2022-06-22 20:03:04 | Windows Build: | + fixed: update unit was broken |
Revision: 1395 | 2022-06-17 14:56:37 | Windows Build: | |
Revision: 1394 | 2022-06-17 10:14:26 | Windows Build: | update UNIT and DISP from wavelength differentiate between D and H |
Revision: 1393 | 2022-06-10 07:01:38 | Windows Build: | |
Revision: 1392 | 2022-06-10 06:39:23 | Windows Build: | + maximum runs for WGHT refinement can now be adjusted. (-1 is forever) + ToolTip for line number area shortened when part is 0 + curent line highlighting fixed for dark theme |
Revision: 1391 | 2022-06-01 07:24:35 | Windows Build: | |
Revision: 1390 | 2022-06-01 05:17:42 | Windows Build: | compile switches for Qt4 compatibility |
Revision: 1389 | 2022-05-31 12:17:01 | Linux Build: | + no more deprecation warnigs for Qt5 ...lets see it it still fits Qt4 |
Revision: 1388 | 2022-05-31 06:21:00 | Windows Build: | + less compile warnings |
Revision: 1387 | 2022-05-30 00:12:45 | Windows Build: | |
Revision: 1386 | 2022-05-25 12:54:39 | Windows Build: | + suppress messages about setGeometry |
Revision: 1385 | 2022-05-04 12:03:26 | Windows Build: | |
Revision: 1384 | 2022-05-04 11:52:00 | Windows Build: | + fixing context menu |
Revision: 1383 | 2022-05-03 06:32:55 | Windows Build: | - gcc does not like opengl32.lib |
Revision: 1382 | 2022-05-02 11:33:37 | Windows Build: | |
Revision: 1381 | 2022-05-02 10:39:47 | Windows Build: | + some changes for vs22 |
Revision: 1380 | 2022-04-22 05:58:08 | Windows Build: | |
Revision: 1379 | 2022-04-22 05:28:52 | Windows Build: | + multicursors are blue now + flickering cursor issues probably fixed. |
Revision: 1378 | 2022-03-31 07:56:55 | Windows Build: | + attempt to fix OleSetClipboard error on copy ctrl+c |
Revision: 1377 | 2022-03-29 13:43:32 | Windows Build: | |
Revision: 1376 | 2022-03-29 13:20:47 | Windows Build: | + switch to HKLF 4 if in a HKLF5 file. |
Revision: 1375 | 2022-03-29 08:46:58 | Windows Build: | + Fixed broken auto completer. + fixed crash on replace next and replace prvious. + Switch to hklf5 let user decide if old files should be loaded or existing should be written. |
Revision: 1374 | 2022-03-25 16:40:27 | Windows Build: | |
Revision: 1373 | 2022-03-25 16:06:47 | Linux Build: | + fixed some issues with multicursor.... |
Revision: 1372 | 2022-03-25 14:14:16 | Windows Build: | + fixed too large window if restoreGeometry does not work well. + Big change: BlockSelection and MultiTextCursor (Alt+Shift+Up or donwn) (bugs may still be there) |
Revision: 1371 | 2022-03-10 13:59:12 | Windows Build: | + When Q-Peaks are toggled off they now are so too in POV ray export. |
Revision: 1370 | 2022-03-08 07:40:30 | Windows Build: | |
Revision: 1369 | 2022-03-08 07:00:08 | Windows Build: | + Fixed a logic error... |
Revision: 1368 | 2022-03-07 10:52:05 | Windows Build: | |
Revision: 1367 | 2022-03-07 10:38:01 | Linux Build: | + fixed some compile warnings... |
Revision: 1366 | 2022-03-07 10:25:37 | Mac Build: | + external programs sometimes require absolute paths for file arguments. |
Revision: 1365 | 2022-02-04 09:11:38 | Windows Build: | |
Revision: 1364 | 2022-02-04 08:56:27 | Windows Build: | |
Revision: 1363 | 2022-02-04 07:02:40 | Windows Build: | + new icon for squeeze + load buttons in extra dialog stapled up on each call. |
Revision: 1362 | 2022-02-03 09:56:40 | Linux Build: | |
Revision: 1361 | 2022-02-02 13:56:10 | Windows Build: | + squeeze if PWTDIR is set. |
Revision: 1360 | 2022-01-28 10:38:09 | Windows Build: | |
Revision: 1359 | 2022-01-28 10:16:37 | Windows Build: | + DSR Window was not visible in som multiple screen configurations. |
Revision: 1358 | 2022-01-27 14:52:39 | Windows Build: | |
Revision: 1357 | 2022-01-27 14:33:51 | Windows Build: | + 'switch to HKLF 5' creates an res file for a HKLF 5 formated .hkl file if it exists. BASF values are taken from sad abs output file. CAVEATS: If there is a matrix in HKLF istruction this is ignored. If shelxt solution reaarraged hkl file this alos might not work. |
Revision: 1356 | 2022-01-19 06:12:15 | Windows Build: | |
Revision: 1355 | 2022-01-19 05:56:21 | Windows Build: | + insertEXTI and insertCONF + refine in SHELX menu |
Revision: 1354 | 2022-01-11 12:10:21 | Windows Build: | |
Revision: 1353 | 2022-01-11 11:37:35 | Windows Build: | + improving symmetry element visualization feature. |
Revision: 1352 | 2021-12-14 12:06:20 | Windows Build: | |
Revision: 1351 | 2021-12-14 11:54:57 | Windows Build: | + Voronoij was broken. |
Revision: 1350 | 2021-12-14 10:12:52 | Windows Build: | |
Revision: 1349 | 2021-12-14 09:59:04 | Windows Build: | + Visialisation of symmetry elements: some fixes for hexagonal space groups |
Revision: 1348 | 2021-12-13 15:33:55 | Windows Build: | |
Revision: 1347 | 2021-12-13 15:02:30 | Windows Build: | + Visualisation of symmetry elements |
Revision: 1346 | 2021-11-17 12:45:45 | Windows Build: | |
Revision: 1345 | 2021-11-17 12:21:33 | Windows Build: | + crash fix + packing shortcuts + DSRGui small fix |
Revision: 1344 | 2021-11-15 13:30:55 | Windows Build: | |
Revision: 1343 | 2021-11-15 12:05:50 | Windows Build: | + BIND PARTn1 PARTn2 alos includes now H-Bonds + splitRotate [alt +left mouse] to specify bond axis; rotate rotation axis by [alt +left mouse] SIMU RIGU SAME optional + Part colors consistent in all program parts. + LineNumberArea shows Tooltip with PART and AFIX information for line under cursor. |
Revision: 1342 | 2021-11-09 12:17:36 | Windows Build: | |
Revision: 1341 | 2021-11-09 11:56:22 | Windows Build: | + splitRotate (experimental feature) |
Revision: 1340 | 2021-11-04 13:32:53 | Windows Build: | + Windows installers now signed! |
Revision: 1339 | 2021-11-04 13:17:12 | Windows Build: | + .obj principal ellipses |
Revision: 1338 | 2021-10-29 05:29:22 | Windows Build: | |
Revision: 1337 | 2021-10-29 05:11:11 | Windows Build: | + 'HFIX only on suitable atoms' based on ADP HFIX only if signs of disorder allow. + position of DSRGui. |
Revision: 1336 | 2021-10-26 09:31:36 | Windows Build: | |
Revision: 1335 | 2021-10-26 08:31:24 | Windows Build: | + icon for .obj export. + .obj export improved (Maps and Voronoij not (yet) included) + WGHT refine was 0.2 default after 10 cycles without converging. |
Revision: 1334 | 2021-10-23 16:16:06 | Windows Build: | |
Revision: 1333 | 2021-10-23 10:49:57 | Windows Build: | + structure (atoms + bonds) can be exported to Wavefront .obj files which can be inserted in Powerpoint for example. |
Revision: 1332 | 2021-10-19 17:56:57 | Windows Build: | |
Revision: 1331 | 2021-10-19 17:40:35 | Windows Build: | + reducing console output (apex) + multiple aoutDSR entries in help menu fixed. |
Revision: 1330 | 2021-10-12 12:02:31 | ||
Revision: 1329 | 2021-10-12 11:27:11 | Windows Build: | + win64bitQt5-installer gets DSR from Daniel new page and runs its installer + new web page and mail addresses for DSR. + some icons were missing in inherit labels dialog |
Revision: 1328 | 2021-10-08 06:35:21 | Windows Build: | |
Revision: 1327 | 2021-10-08 06:22:32 | Windows Build: | + povray: path and file names may now contain spaces |
Revision: 1326 | 2021-10-04 06:02:50 | Windows Build: | |
Revision: 1325 | 2021-10-04 05:13:13 | Windows Build: | + fix: fcf by hkl exti calculation. + wght refine should not update wght instruction in 10th cylcle. |
Revision: 1324 | 2021-09-27 06:00:04 | Windows Build: | |
Revision: 1323 | 2021-09-27 05:08:36 | Mac Build: | + DSR in some systems the fragment rotated without left mouse button pressed. |
Revision: 1322 | 2021-09-23 11:03:04 | Windows Build: | |
Revision: 1321 | 2021-09-23 10:51:39 | Windows Build: | + some icons where not visible |
Revision: 1320 | 2021-09-17 05:32:52 | Windows Build: | |
Revision: 1319 | 2021-09-17 05:09:57 | Windows Build: | + fixed some typos |
Revision: 1318 | 2021-09-09 13:05:23 | Windows Build: | |
Revision: 1317 | 2021-09-09 12:55:31 | Windows Build: | + POVRAY inc path fixed |
Revision: 1316 | 2021-09-09 12:46:25 | Windows Build: | + fix in add Hydroxyl Hydrogen atom to ... + part highlighting now also in PovRay output |
Revision: 1315 | 2021-09-07 12:12:07 | Windows Build: | |
Revision: 1314 | 2021-09-07 11:55:44 | Linux Build: | |
Revision: 1313 | 2021-09-07 11:44:28 | Windows Build: | |
Revision: 1312 | 2021-09-07 10:39:59 | Windows Build: | + improvements to merohedral twin test function |
Revision: 1311 | 2021-09-06 10:09:27 | Windows Build: | |
Revision: 1310 | 2021-09-06 09:34:33 | Windows Build: | + test for merohedral twinning + Fixed some issues with AFIX 153 |
Revision: 1309 | 2021-08-27 13:27:03 | Windows Build: | |
Revision: 1308 | 2021-08-27 13:12:30 | Mac Build: | + internally: renaming icons directory in xle-icons |
Revision: 1307 | 2021-08-27 11:47:04 | Windows Build: | + insertActa and run shelxl changes/inserts LIST 4 + select fragment / hide this fragment / hide other fragment run sdm if number atoms in asymmetric unit is higher that given limit. + HFIX 153 for B-H bonds 4-5 neighbors per boron atom required |
Revision: 1306 | 2021-08-25 11:05:15 | Windows Build: | |
Revision: 1305 | 2021-08-25 10:48:52 | Mac Build: | + POVRAY cylinders may not be of zero length. |
Revision: 1304 | 2021-08-25 10:06:16 | Windows Build: | + POVRAY electron density maps in wireframe style like on screen. |
Revision: 1303 | 2021-08-25 06:28:12 | Mac Build: | + try to remove some Qt5.15 deprection warnings. |
Revision: 1302 | 2021-08-16 09:49:23 | Windows Build: | |
Revision: 1301 | 2021-08-16 09:10:02 | Mac Build: | + Povray exports default to transparent back ground. |
Revision: 1300 | 2021-08-12 07:30:01 | Windows Build: | |
Revision: 1299 | 2021-08-12 07:11:25 | Windows Build: | + bars in history widget have been sometimes too large. |
Revision: 1298 | 2021-08-10 07:16:40 | Windows Build: | |
Revision: 1297 | 2021-08-10 07:00:02 | Windows Build: | + alt + wheel to change the fog range. + mist or fog is disabled in orthographic projection. |
Revision: 1296 | 2021-08-09 11:08:39 | Windows Build: | |
Revision: 1295 | 2021-08-09 10:44:26 | Windows Build: | + depthCueing fog or mist ALT+M |
Revision: 1294 | 2021-08-09 07:15:40 | Windows Build: | + external programs that create no output after execution will started detached next time. |
Revision: 1293 | 2021-07-30 05:33:21 | Windows Build: | |
Revision: 1292 | 2021-07-30 04:53:15 | Windows Build: | + some debug output removed + extra icons can be svg file type |
Revision: 1291 | 2021-07-30 03:51:02 | Linux Build: | + include |
Revision: 1290 | 2021-07-26 06:07:22 | Windows Build: | |
Revision: 1289 | 2021-07-26 04:46:09 | Mac Build: | . + ALT+CTRL++ increases resi number in ReNameMode ALT+CTRL+- decreases it. |
Revision: 1288 | 2021-07-21 12:55:20 | Windows Build: | + less warnings in vs2009 + Add restraints->DFIX has now an option to add BIND instruction and a button to set target distance to simple single bond distance. |
Revision: 1287 | 2021-07-20 08:35:23 | Windows Build: | |
Revision: 1286 | 2021-07-20 07:51:05 | Windows Build: | + rotation center jumped after save after rename |
Revision: 1285 | 2021-07-14 05:27:44 | Windows Build: | |
Revision: 1284 | 2021-07-13 13:43:08 | Windows Build: | + 'Most Disagreeable Reflections' listed in lst file can now conveniently OMITed |
Revision: 1283 | 2021-07-12 06:21:02 | Windows Build: | |
Revision: 1282 | 2021-07-12 05:37:09 | Windows Build: | + crashfix: DISP from wavelength crashed for elements heavier than Uranium. |
Revision: 1281 | 2021-07-05 07:24:59 | Windows Build: | |
Revision: 1280 | 2021-07-02 11:57:09 | Windows Build: | change element duplicate label problem |
Revision: 1279 | 2021-07-02 10:06:02 | Windows Build: | + lst file view is only shown if a lst file exists. |
Revision: 1278 | 2021-06-29 09:47:33 | Windows Build: | |
Revision: 1277 | 2021-06-29 08:42:39 | Mac Build: | + Keybindings on MacOS might be a litte different... |
Revision: 1276 | 2021-06-29 07:21:14 | Windows Build: | + KeyBindings shown in Help Menu |
Revision: 1275 | 2021-06-22 08:53:15 | Windows Build: | |
Revision: 1274 | 2021-06-22 06:23:47 | Windows Build: | + new icons for contour plot |
Revision: 1273 | 2021-06-14 14:06:16 | Windows Build: | |
Revision: 1272 | 2021-06-14 12:53:36 | Windows Build: | + deleting no longer used .png files + QPushButton in focus get a green border for easier recognition which button triggers by [space] after and during refinement. |
Revision: 1271 | 2021-06-11 10:15:58 | Windows Build: | + fine tuning icons + adding droid-sans-mono.ttf as default font for editor + user chosen font stays when changing theme |
Revision: 1270 | 2021-06-10 14:56:46 | Windows Build: | installers updated for svg support |
Revision: 1269 | 2021-06-09 13:24:07 | Windows Build: | |
Revision: 1268 | 2021-06-09 13:21:10 | Windows Build: | + new set of icons in svg instead of png should work in dark and light theme |
Revision: 1267 | 2021-06-01 07:35:40 | Windows Build: | |
Revision: 1266 | 2021-06-01 06:16:10 | Windows Build: | + dark style for save history and pse |
Revision: 1265 | 2021-05-31 13:26:45 | Windows Build: | + a dark and a light window theme (icons are still the same) |
Revision: 1264 | 2021-05-28 20:24:31 | Windows Build: | |
Revision: 1263 | 2021-05-28 13:02:22 | dark syntax highlighter themes | |
Revision: 1262 | 2021-05-28 13:00:15 | Windows Build: | + dark colors for editor + native dialogs or qt versions optional |
Revision: 1261 | 2021-05-28 04:15:42 | Windows Build: | + try to use native dialogs again (file open) |
Revision: 1260 | 2021-05-25 07:32:08 | Windows Build: | |
Revision: 1259 | 2021-05-25 05:50:04 | Windows Build: | + improvements in computational chemistry export. |
Revision: 1258 | 2021-05-05 07:35:18 | Windows Build: | |
Revision: 1257 | 2021-05-05 05:44:36 | Windows Build: | + POV-Ray I think scaling is fixed now. AtomPosN variables Labels in //comments |
Revision: 1256 | 2021-05-03 13:27:41 | Windows Build: | + 1255 did not contain the right installer. |
Revision: 1255 | 2021-05-03 13:15:14 | Windows Build: | |
Revision: 1254 | 2021-05-03 12:47:39 | Mac Build: | |
Revision: 1253 | 2021-05-03 12:21:39 | Windows Build: | + fix in ExtraPrograms |
Revision: 1252 | 2021-05-03 11:42:36 | Windows Build: | + PovRay: improvements |
Revision: 1251 | 2021-05-01 07:15:59 | Windows Build: | |
Revision: 1250 | 2021-04-30 14:26:44 | Linux Build: | + fix of last commit.. |
Revision: 1249 | 2021-04-30 14:18:24 | Linux Build: | + povray on Linux works now as well... |
Revision: 1248 | 2021-04-30 14:00:23 | Windows Build: | |
Revision: 1247 | 2021-04-30 12:49:29 | Windows Build: | + Povray is executed after pov files are written. + Q-Peak-Bonds / Fourier Maps / Voronoij polyeder |
Revision: 1246 | 2021-04-28 14:37:50 | Windows Build: | |
Revision: 1245 | 2021-04-28 13:17:14 | Windows Build: | + PovRay: Aromatic rings if Centroid is in center of ring/ Labels /Legend Unit Cell /hydrogen bonds + more features in next version.... |
Revision: 1244 | 2021-04-23 14:13:56 | Windows Build: | |
Revision: 1243 | 2021-04-23 13:00:33 | Windows Build: | + new feature: "export Scene to PovRay" thanks to K.Radacki (Labels, Maps, Unit Cell, Legend still missing) |
Revision: 1242 | 2021-04-13 17:47:49 | Windows Build: | |
Revision: 1241 | 2021-04-13 14:13:54 | Windows Build: | + optional AULA without Residues. |
Revision: 1240 | 2021-04-13 13:05:15 | Windows Build: | + lines starting with a space character can be longer without shelxl complains about it. So now ShelXle does not have a problem there too. |
Revision: 1239 | 2021-04-12 07:29:34 | Windows Build: | |
Revision: 1238 | 2021-04-09 13:28:20 | Windows Build: | + AULA only lets you use itself if you remove all Hydrogen atoms and restraints constraints first. |
Revision: 1237 | 2021-04-08 04:52:38 | Windows Build: | |
Revision: 1236 | 2021-04-07 11:05:36 | Windows Build: | + some ini file issues fixed. + Shortcut 'ALT + F' for FUSE + Shortcut 'ALT + G' for GROW + '++includefile' syntax is now handled correctly + files opened in ShelXlesaves folder are not remembered in recent files list anymore. |
Revision: 1235 | 2021-03-23 18:00:12 | Windows Build: | |
Revision: 1234 | 2021-03-22 14:21:49 | Windows Build: | + Idle rotation should now stop after ca 10 rotations or 36 seconds. + Sorting by Ueq value introduced. |
Revision: 1233 | 2021-03-15 17:36:31 | Windows Build: | |
Revision: 1232 | 2021-03-15 15:30:54 | Windows Build: | + fixed invisible 'intersecting planes' in ADPs after KillHs. + 'compute and visualize BODD...' result visible even if maps are deactivated. + From now on each Qt4/5 32 bit Version gets its own ini file to avoid interferences. + BEDE with residue_ specifier are now accepted. |
Revision: 1231 | 2021-03-12 06:22:44 | Windows Build: | |
Revision: 1230 | 2021-03-11 08:15:29 | Windows Build: | + deactivated: QuickReLoad, it has to many issues. may be it comes back after revision... + fixed: Fo-Fc map if there is no positive map all maps were not shown. |
Revision: 1229 | 2021-02-26 16:35:12 | Windows Build: | |
Revision: 1228 | 2021-02-26 13:47:42 | Windows Build: | + png files created with Screenshot had stripes on background. + labels in ENVI now use Textures instead of buggy Qt's renderText. |
Revision: 1227 | 2021-02-12 15:18:45 | Windows Build: | + AtomLegend does not show atom type that are hidden anymore. |
Revision: 1226 | 2021-02-10 20:11:50 | Windows Build: | |
Revision: 1225 | 2021-02-10 18:59:10 | Mac Build: | |
Revision: 1224 | 2021-02-10 14:07:10 | Linux Build: | + legend fixed dimensions 415x950. |
Revision: 1223 | 2021-02-10 12:55:44 | Windows Build: | + Atom Legend improved visibility. + Maximized state was not restored after reopening of ShelXle. |
Revision: 1222 | 2021-02-05 15:12:44 | Windows Build: | |
Revision: 1221 | 2021-02-03 18:54:32 | Windows Build: | |
Revision: 1220 | 2021-02-03 18:02:34 | Mac Build: | |
Revision: 1219 | 2021-02-03 15:05:54 | Windows Build: | + new icon for quick-re-load_on.png to enhance clarity if it is toggled or not. |
Revision: 1218 | 2021-02-02 15:14:19 | Windows Build: | + idleRotStop when user rotates the structure. |
Revision: 1217 | 2021-02-01 14:31:50 | Windows Build: | |
Revision: 1216 | 2021-01-29 13:40:33 | Windows Build: | + check if controlling action exist when starting idle rotation. |
Revision: 1215 | 2021-01-25 19:53:19 | Windows Build: | |
Revision: 1214 | 2021-01-25 19:12:15 | Mac Build: | |
Revision: 1213 | 2021-01-25 18:52:08 | Linux Build: | + sveral bugfixes in QuickReLoad. There might be some more (!) ... |
Revision: 1212 | 2021-01-22 19:52:33 | Windows Build: | |
Revision: 1211 | 2021-01-22 19:03:01 | Mac Build: | |
Revision: 1210 | 2021-01-22 13:34:17 | Windows Build: | + quickReLoad now works. You can toggle it via ToolButton in the status bar. + fix: idle rotation did not stop. |
Revision: 1209 | 2021-01-21 05:15:29 | Linux Build: | + work on QuickReLoad + aboutDSR moved to DSRGui visible after 1st use. |
Revision: 1208 | 2021-01-19 18:50:26 | Windows Build: | |
Revision: 1207 | 2021-01-19 15:45:10 | Mac Build: | + Voronoi polyeders can now removed from the view. Before one had to reload the sructure. + I am working a quickReLoad feature... + Idle rotation rotates the structure around Y until stoped. |
Revision: 1206 | 2021-01-15 11:37:51 | Windows Build: | visual studio does not understand some precompiler flags |
Revision: 1205 | 2021-01-03 09:22:06 | Windows Build: | |
Revision: 1204 | 2021-01-03 08:44:16 | Mac Build: | |
Revision: 1203 | 2021-01-03 08:38:14 | Mac Build: | + BIND C1 C1_$1 with EQIV did not work |
Revision: 1202 | 2021-01-03 06:08:47 | Mac Build: | + Qt5/retina: click and atom focus problems solved. |
Revision: 1201 | 2020-12-20 17:26:11 | Windows Build: | |
Revision: 1200 | 2020-12-20 16:32:10 | Mac Build: | + BEDE LONE Labels can be toggled off + multiple PART n m combinations should work now + Qt4 version of MacOS uses no pixel doubling (Retina) |
Revision: 1199 | 2020-12-17 18:28:35 | Mac Build: | + experimental Qt5 build on Big Sur |
Revision: 1198 | 2020-12-15 15:44:41 | Windows Build: | + rotation video was empty when height or width was not a even number of pixels. + AFIX 6 AFIX 9 HFIX nm get closed by AFIX 5 instead of AFIX 0 (might cause issues) |
Revision: 1197 | 2020-12-12 10:51:59 | Windows Build: | |
Revision: 1196 | 2020-12-12 09:18:55 | Mac Build: | |
Revision: 1195 | 2020-12-12 09:02:55 | Linux Build: | + fix kill H in nested AFIX removed all AFIXED atoms |
Revision: 1194 | 2020-12-09 16:15:52 | Windows Build: | + who needs a progress bar if it is not visible -> rest in p. |
Revision: 1193 | 2020-12-07 21:11:58 | Mac Build: | + 'Load refinement results' crashed under Big Sur (MacOS) |
Revision: 1192 | 2020-12-07 15:11:11 | Windows Build: | + only draw maps if calculation is finished. |
Revision: 1191 | 2020-12-04 08:22:30 | Windows Build: | |
Revision: 1190 | 2020-12-04 07:26:29 | Mac Build: | |
Revision: 1189 | 2020-12-02 15:25:50 | Linux Build: | -removed a typo |
Revision: 1188 | 2020-12-02 15:20:37 | Windows Build: | + Export coordinates for Gaussian, Turbomol or as xyz file. + Default Fonts "Lucida Console" "Monaco" and "Droid Sans Mono" on Windows MacOS and Linux I recommend "Droid Sans Mono" as font for editor. + Part -n was not always growing the pm1-ghost. |
Revision: 1187 | 2020-11-22 13:50:16 | Windows Build: | |
Revision: 1186 | 2020-11-22 13:24:12 | Mac Build: | |
Revision: 1185 | 2020-11-20 14:57:35 | Windows Build: | + 2D Maps can extend the unit cell, but there are still gaps at the cell borders |
Revision: 1184 | 2020-11-17 19:02:55 | Windows Build: | |
Revision: 1183 | 2020-11-17 17:31:56 | Mac Build: | |
Revision: 1182 | 2020-11-17 16:43:50 | Mac Build: | |
Revision: 1181 | 2020-11-17 15:29:12 | Mac Build: | + 2D contourPlots can now plot either Fo or Fo-Fc map. + Contour plot can have height and rainbow colors. |
Revision: 1180 | 2020-11-13 15:24:13 | Windows Build: | + small fixes |
Revision: 1179 | 2020-11-11 22:29:04 | Windows Build: | |
Revision: 1178 | 2020-11-11 21:19:48 | Mac Build: | |
Revision: 1177 | 2020-11-11 15:16:29 | Windows Build: | + difference density map can now be illustrated as 2D contourPlot 3 atoms selected. eps file export optional. Content must be in unit cell. |
Revision: 1176 | 2020-11-11 09:21:05 | Linux Build: | + trying to add contour plots of difference map |
Revision: 1175 | 2020-11-02 17:26:48 | Windows Build: | |
Revision: 1174 | 2020-11-02 16:59:11 | Mac Build: | |
Revision: 1173 | 2020-11-02 13:36:11 | Windows Build: | + fix: killallQ then killallH crashed. |
Revision: 1172 | 2020-10-13 16:29:02 | Windows Build: | |
Revision: 1171 | 2020-10-13 16:04:21 | Mac Build: | |
Revision: 1170 | 2020-10-13 12:14:26 | Windows Build: | + Voronoij polyhedrons work for au and individual atoms. |
Revision: 1169 | 2020-10-12 09:42:08 | Linux Build: | + Voronoij polyeders from MoleCoolQt |
Revision: 1168 | 2020-10-08 16:48:04 | Windows Build: | |
Revision: 1167 | 2020-10-08 16:20:52 | Mac Build: | |
Revision: 1166 | 2020-10-08 06:42:46 | Windows Build: | + fix: Anistropic refined Hydrogen atoms incorrectly deleted with deleteAllH. |
Revision: 1165 | 2020-10-06 18:24:31 | Windows Build: | |
Revision: 1164 | 2020-10-06 17:52:23 | Mac Build: | |
Revision: 1163 | 2020-10-06 11:17:33 | Windows Build: | + improved HFIX148 in auto HFIX. It also possible to add OH Hs to R-O via context menu. |
Revision: 1162 | 2020-10-01 14:34:53 | Windows Build: | + testing full screen mode with [F11] if some one likes to have it... |
Revision: 1161 | 2020-09-29 17:00:40 | Windows Build: | |
Revision: 1160 | 2020-09-29 16:29:12 | Mac Build: | |
Revision: 1159 | 2020-09-29 09:08:32 | Windows Build: | + FIX: flickering of hidden fragments while renaming + FIX: behavior of autoHFIX in closing AFIX 65/0 was wrong in AFIX 66 or similar nested AFIX environments. |
Revision: 1158 | 2020-09-25 15:57:02 | Windows Build: | |
Revision: 1157 | 2020-09-25 15:26:23 | Mac Build: | |
Revision: 1156 | 2020-09-25 09:32:52 | Windows Build: | + FIX: Highlighter REMarked lines ending with '=' gave incorrect coloring in lines after. + H-Bonds between atoms in PARTs and PART 0. + User can specify which elements are considered as hydrogen bond donors and acceptors. |
Revision: 1155 | 2020-09-21 18:45:06 | Windows Build: | |
Revision: 1154 | 2020-09-21 18:10:29 | Mac Build: | |
Revision: 1153 | 2020-09-21 14:26:45 | Windows Build: | + Hydrogen atoms renamed from Q-Peaks get riding ADP "-1.5" instead of free Uiso 0.05. + 'Copy ... here' should avoid duplicate labels now. Sorting is still required. |
Revision: 1152 | 2020-09-17 18:00:02 | Windows Build: | + starting cmd.exe as detached extra program works now again in qt5 version |
Revision: 1151 | 2020-09-17 16:23:44 | Mac Build: | |
Revision: 1150 | 2020-09-17 08:44:47 | Windows Build: | + FIX: 'toggle remark states of selected text' misbehaved when selection was not fully visible. + WGHTrefine has a working 'Finsish gracefully' button now. + FIX: On Qt5 and Windows 10 CMD.EXE and programs with a command prompt are invisible when started detached (To be evaluated) |
Revision: 1149 | 2020-09-15 18:12:50 | Windows Build: | |
Revision: 1148 | 2020-09-15 17:41:19 | Mac Build: | |
Revision: 1147 | 2020-09-15 14:44:03 | Windows Build: | + Order of Atoms after renaming should be better now. + Adding H shouldn't generate now no longer duplicate labels. |
Revision: 1146 | 2020-09-11 06:03:20 | Windows Build: | + Device not open still pops up in WGHT-Refine |
Revision: 1145 | 2020-09-11 05:12:43 | Mac Build: | |
Revision: 1144 | 2020-09-10 10:04:46 | Windows Build: | + unchecking 'search for duplicates' removes immediately highlights on atoms and in editor. + fix: 'move selected atoms to selected sites' changed fixed Uisos (-1.2) to Ueq values. + fix to be tested (Qt5 issue): 'device not open' when WGHT-refine. + fix: DANG in primary amines had 2 identical H labels. + BIND n m (n,m = PART numbers) allows bonds between PARTs of PARTs. + smaller PART and duplicates highlight radius. |
Revision: 1143 | 2020-08-31 18:06:18 | Windows Build: | |
Revision: 1142 | 2020-08-31 17:38:02 | Mac Build: | |
Revision: 1141 | 2020-08-31 13:20:54 | Windows Build: | |
Revision: 1140 | 2020-08-15 13:20:29 | Windows Build: | |
Revision: 1139 | 2020-08-15 12:28:24 | Mac Build: | + primary amine DANG to next neighbor |
Revision: 1138 | 2020-07-30 13:18:14 | Windows Build: | |
Revision: 1137 | 2020-07-28 11:23:07 | Windows Build: | |
Revision: 1136 | 2020-07-28 10:16:13 | Mac Build: | |
Revision: 1135 | 2020-07-28 10:09:43 | Linux Build: | + fixing WGHT refine behavior if refinement fails |
Revision: 1134 | 2020-07-27 14:12:55 | Windows Build: | + a default path can be specified if first recent file does not exists |
Revision: 1133 | 2020-07-27 03:26:26 | Windows Build: | |
Revision: 1132 | 2020-07-26 14:33:12 | Mac Build: | |
Revision: 1131 | 2020-07-26 13:43:08 | Linux Build: | + fix problems when wght gets out of range |
Revision: 1130 | 2020-07-22 17:58:13 | Windows Build: | |
Revision: 1129 | 2020-07-22 15:22:55 | Mac Build: | |
Revision: 1128 | 2020-07-22 10:45:07 | Windows Build: | + Better handling when memory issues in Fourier Maps occur |
Revision: 1127 | 2020-07-21 15:49:54 | Windows Build: | |
Revision: 1126 | 2020-07-21 05:30:39 | Mac Build: | |
Revision: 1125 | 2020-07-13 13:58:29 | Windows Build: | + if the last opened file does not exist (eg moved elsewhere) then start open file dialog in users home directory instead of installation directory of Shelxle. |
Revision: 1124 | 2020-06-30 17:49:24 | Windows Build: | |
Revision: 1123 | 2020-06-30 17:14:56 | Mac Build: | |
Revision: 1122 | 2020-06-30 14:21:37 | Windows Build: | + png default instead of jpg + output to find memory problems + BEDE LONE objects with atoms in part did not show up |
Revision: 1121 | 2020-06-24 18:04:46 | Windows Build: | |
Revision: 1120 | 2020-06-24 17:09:49 | Mac Build: | |
Revision: 1119 | 2020-06-24 17:04:36 | Linux Build: | + merge with daniels changes |
Revision: 1118 | 2020-06-24 11:00:42 | Windows Build: | + Use Texture Label + No Label gave strange results when hovering with the mouse. |
Revision: 1117 | 2020-06-17 13:05:36 | Windows Build: | |
Revision: 1116 | 2020-06-16 18:33:20 | Mac Build: | |
Revision: 1115 | 2020-06-16 13:53:44 | Linux Build: | + line indenting with vim |
Revision: 1114 | 2020-06-16 12:22:59 | Windows Build: | + fcf6 by hkl added to advanced in MapControl + rotation Videos can be created using ffmpeg. mp4 Videos have a branding. + Short cut for Video creation CTRL+M + Short cut for IDEAL deformation density computing CTRL+I + IDEAL deformation density can be computed only once (parallel threads lead to crash) |
Revision: 1113 | 2020-05-29 09:04:37 | Windows Build: | |
Revision: 1112 | 2020-05-29 08:00:41 | Mac Build: | |
Revision: 1111 | 2020-05-29 07:46:11 | Linux Build: | + fixed some issues in AutoLabeling |
Revision: 1110 | 2020-05-27 14:33:07 | Windows Build: | + freeze in auto labeling fixed. |
Revision: 1109 | 2020-05-25 18:37:30 | Windows Build: | |
Revision: 1108 | 2020-05-25 17:50:20 | Mac Build: | |
Revision: 1107 | 2020-05-25 14:15:10 | Windows Build: | + fixed: labels not updated when renamed |
Revision: 1106 | 2020-05-15 14:24:28 | Windows Build: | |
Revision: 1105 | 2020-05-12 14:37:06 | Windows Build: | + Short Labels without residue number and symmetry >> as default option |
Revision: 1104 | 2020-05-10 11:27:40 | Windows Build: | |
Revision: 1103 | 2020-05-10 10:23:28 | Mac Build: | + useTextures4Labels in settings |
Revision: 1102 | 2020-05-08 13:41:49 | Windows Build: | + Texture based Labels as alternative for Qt's renderText |
Revision: 1101 | 2020-04-29 13:28:21 | Windows Build: | |
Revision: 1100 | 2020-04-29 12:44:22 | Mac Build: | |
Revision: 1099 | 2020-04-28 14:42:53 | Windows Build: | + adding glureplace.h to replace dependency on glu.h |
Revision: 1098 | 2020-04-27 14:19:59 | Windows Build: | + ranges with less then or greater then symbols are expanded before sorting. + auto labeling might be a bit more reproduceable now. |
Revision: 1097 | 2020-04-24 12:30:12 | Windows Build: | + try to improve auto labeling. |
Revision: 1096 | 2020-04-22 18:43:20 | Windows Build: | |
Revision: 1095 | 2020-04-22 16:47:19 | Mac Build: | |
Revision: 1094 | 2020-04-22 14:38:03 | Windows Build: | + Auto Labeling works for molecule without rings too. Ring molecules on special positions may not work. |
Revision: 1093 | 2020-04-21 18:17:09 | Windows Build: | |
Revision: 1092 | 2020-04-21 16:11:02 | Mac Build: | |
Revision: 1091 | 2020-04-21 14:46:16 | Windows Build: | + fix crash when empty structure was loaded after one with QPeakBonds + AutoLabeling molecules containing rings do work, still silly, but play if you are interested. |
Revision: 1090 | 2020-04-20 14:51:10 | Windows Build: | + AutoLabeling works for C60F18 Fluorine atoms still missing. + fmax not defined in vc |
Revision: 1089 | 2020-04-16 20:56:53 | Linux Build: |
-AuLa Automatic Labeling still unfinisched but annulated ring sytems work somehow, direction of sequence need to be corrected. + AuLa icon added |
Revision: 1088 | 2020-04-15 16:44:48 | Windows Build: | |
Revision: 1087 | 2020-04-15 15:41:27 | Mac Build: | + +nullptr was not yet defined |
Revision: 1086 | 2020-04-15 15:32:22 | Linux Build: | + REM OVERRIDEF000 to use a different F000 as in fcf file. + Trying differen FileDialogs, probably they work in Catalina + |
Revision: 1085 | 2020-04-12 08:19:48 | Mac Build: | + testing Lion |
Revision: 1084 | 2020-04-12 08:11:48 | Mac Build: | + testing Catalina lots of issues remain ... |
Revision: 1083 | 2020-04-05 15:04:33 | Windows Build: | |
Revision: 1082 | 2020-04-05 14:37:21 | Mac Build: | |
Revision: 1081 | 2020-04-05 14:30:43 | Linux Build: | + bonds were drawn with back faces visible + uninitialized value lead to a crash in 'move centers of gravity into unit cell' |
Revision: 1080 | 2020-04-02 12:17:58 | Windows Build: | |
Revision: 1079 | 2020-04-02 11:56:40 | Mac Build: | |
Revision: 1078 | 2020-04-02 11:49:50 | Linux Build: | + H-bonds need setupTexture() acciedently removed with displayLists |
Revision: 1077 | 2020-04-02 11:03:04 | Mac Build: | |
Revision: 1076 | 2020-04-02 10:42:12 | Linux Build: | + buried display lists. Rest in pieces. + playing on concept for autolabeling not featured yet. stay tuned! |
Revision: 1075 | 2020-03-30 12:44:40 | Windows Build: | + fixing resi numbers used did not always work. |
Revision: 1074 | 2020-03-10 07:20:06 | Windows Build: | |
Revision: 1073 | 2020-03-09 18:42:37 | Mac Build: | |
Revision: 1072 | 2020-03-09 13:25:18 | Windows Build: | inherit labels tries to fit molecules. |
Revision: 1071 | 2020-03-02 15:11:28 | Windows Build: | + flat shading normals that are at least not messed up at the cell border + experimental new inherit labels (tries to fit molecules) + dbonds produced an invalid operation in OpenGL + External Programs .ins files are also listed as quick load buttons |
Revision: 1070 | 2020-02-17 17:27:19 | Windows Build: | |
Revision: 1069 | 2020-02-17 16:47:23 | Mac Build: | |
Revision: 1068 | 2020-02-17 15:46:17 | Windows Build: | + fourxle now with QThread so it should not block the GUI thread anymore. |
Revision: 1067 | 2020-02-16 10:14:27 | Windows Build: | + retired display lists for fourxle. |
Revision: 1066 | 2020-02-13 14:02:36 | Mac Build: | + tidy up the code a bit |
Revision: 1065 | 2020-02-10 19:43:25 | Windows Build: | |
Revision: 1064 | 2020-02-10 19:13:18 | Mac Build: | + crashfix when 'calculate Maps' is unchecked at startup |
Revision: 1063 | 2020-02-10 15:45:39 | Windows Build: | + color style of defden is only wen defden is shown. + statusMessages are piped to other windows |
Revision: 1062 | 2020-02-07 20:38:29 | Windows Build: | |
Revision: 1061 | 2020-02-07 19:36:03 | Mac Build: | + defden with darkorange and teal as color |
Revision: 1060 | 2020-02-07 16:30:19 | Windows Build: | + Computing IDEAL defden in real space using Thread works!! |
Revision: 1059 | 2020-02-07 09:14:55 | Linux Build: | + +adding ideal_defden.cpp ideal_defden.h |
Revision: 1058 | 2020-02-07 09:13:03 | Linux Build: | + first time using threads... |
Revision: 1057 | 2020-02-06 17:50:20 | Linux Build: | + tested |
Revision: 1056 | 2020-02-06 16:32:40 | Linux Build: | + moving methods from window.cpp to codeeditor.cpp and fourxle.cpp !to be tested |
Revision: 1055 | 2020-02-04 20:51:22 | Linux Build: | |
Revision: 1054 | 2020-02-04 20:48:05 | Linux Build: | + iso adp could be wrong as cos(gamma*) aka mole.cell.cosrg was never initialized. |
Revision: 1053 | 2020-02-03 18:13:42 | ||
Revision: 1052 | 2020-02-03 17:45:59 | Mac Build: | + some fixes |
Revision: 1051 | 2020-02-03 16:58:03 | Linux Build: | + some ADP fixes + itsme.h knows the name if you not define it. |
Revision: 1050 | 2020-02-02 19:55:21 | Mac Build: | |
Revision: 1049 | 2020-02-02 19:39:29 | Linux Build: | |
Revision: 1048 | 2020-02-02 19:15:09 | Windows Build: | |
Revision: 1047 | 2020-02-02 18:42:33 | Mac Build: | + ufiso_org and isIso transfomation (I missed some parts) + moved Code from window.cpp to codeeditor.cpp |
Revision: 1046 | 2020-01-30 19:37:57 | Windows Build: | |
Revision: 1045 | 2020-01-30 18:46:22 | Mac Build: | |
Revision: 1044 | 2020-01-30 18:30:25 | Linux Build: | + isIso and ufiso_org replace uf.m22=-666.0 + included file editor can now save changes + export visible atoms exports BEDE LONE Objects as anisotrop H atoms (atom type 2) |
Revision: 1043 | 2020-01-24 13:53:50 | Windows Build: | |
Revision: 1042 | 2020-01-23 22:47:47 | Linux Build: | + crashfix: deleting Hs or Qs when ENVIronment of an atom is shown caused a crash. |
Revision: 1041 | 2020-01-23 14:16:54 | Windows Build: | |
Revision: 1040 | 2020-01-23 13:28:23 | Mac Build: | |
Revision: 1039 | 2020-01-23 12:59:42 | Linux Build: | + crashfix: renaming qPeaks with GrowQPeaks checked caused a crash. + A ToolBar with 'update RESIdue Class ComboBox' and 'recalculate distance matrices' added to renamDock. |
Revision: 1038 | 2020-01-22 14:46:42 | Windows Build: | + DISABLE_REFINE when loading files from 'export visible atoms' was broken. |
Revision: 1037 | 2020-01-22 13:09:32 | Windows Build: | + Fixed issue #Empty RESI class after "Change RESI or PART of selected atoms" |
Revision: 1036 | 2020-01-22 10:57:39 | Linux Build: | + steps to make a fast reload possible |
Revision: 1035 | 2020-01-17 14:13:00 | Windows Build: | + try to get less warnings VS2008. + invertHidden 'hides everything bug' Fixed. |
Revision: 1034 | 2020-01-13 19:16:18 | Windows Build: | |
Revision: 1033 | 2020-01-13 18:50:04 | Mac Build: | |
Revision: 1032 | 2020-01-13 18:27:09 | Linux Build: | + Configure BEDE LONE Objects style + Editor can be parent of editToolBar + WhatsThis of window included now from WhatsTihisAndWhere.cpp + invertHidden inverts visibility of atoms + included file with '+' can be shown with an editor dialog (readOnly) + default font is now 'Monospace' instead of 'Curier' but I recommed 'Droid Sans Mono' |
Revision: 1031 | 2020-01-09 16:30:04 | Linux Build: | + includefile editor (currently readonly) on '+included' files. (right click on '+filename.bodd' line) |
Revision: 1030 | 2019-12-27 14:45:27 | Windows Build: | |
Revision: 1029 | 2019-12-27 14:02:30 | Mac Build: | |
Revision: 1028 | 2019-12-27 13:46:06 | Linux Build: | + made some Actions Public... + ResiClassComboBox to reuse existing Resi ClassNames + crashfix fcf6 from hkl + 'ALT+D' to start DSR plugin |
Revision: 1027 | 2019-12-18 18:53:15 | Windows Build: | |
Revision: 1026 | 2019-12-18 17:57:05 | Mac Build: | |
Revision: 1025 | 2019-12-18 15:21:55 | Linux Build: | + merge of daniels Sourceforge Version + VS2008 does not like float intitialisation without f (0.0f) molecule.cpp and scatt.h + fix of move centers of gravity ... and move here 'to many uij parameters' + fix WhatsThis of zoom in zoom out |
Revision: 1024 | 2019-12-14 14:53:30 | Windows Build: | + fcf6 from hkl is now faster on unmerged data. |
Revision: 1023 | 2019-12-13 21:16:53 | Mac Build: | + ideal buttons + fixed: hiding BedeLone objects was hiding hide H button too + new ToolBar for Refine actions AtoHFIX, WGHTrefine, refine XL, refine ANIS + moved editor font+/- to editToolBar + wiremodel while Rotate no longer default on new installations |
Revision: 1022 | 2019-12-08 07:33:04 | Windows Build: | + keep iso values works + ortho perspective works on startup + installer Branding contains build date |
Revision: 1021 | 2019-12-07 10:53:37 | Mac Build: | + tested keep map iso value feature--- I'm still not a great fan of it. |
Revision: 1020 | 2019-12-06 11:00:41 | Linux Build: | + merge from dk |
Revision: 1019 | 2019-12-06 10:57:15 | Mac Build: | + append Shader log file + Fix OrthoView wasn't always active if it was selected by settings. + Keep Isovalues fixed feature for demonstrations of improvements (need testing) |
Revision: 1018 | 2019-12-02 18:19:59 | Windows Build: | |
Revision: 1017 | 2019-12-02 17:51:36 | Mac Build: | |
Revision: 1016 | 2019-11-28 12:06:53 | Linux Build: | + just some new icons, EditToolbar +WHGTRefine, +AutoHFIX |
Revision: 1015 | 2019-11-27 15:43:30 | Linux Build: | + load_sheldrick -> public |
Revision: 1014 | 2019-11-25 14:35:15 | Windows Build: | installer icons |
Revision: 1013 | 2019-11-25 13:46:28 | Mac Build: | |
Revision: 1012 | 2019-11-25 13:17:54 | Linux Build: | + HFIX behaviour corrected for nested AFIX in 66 56 106 and 116. + WhatsThis with icons for some GUI elements. + int Window::Version() returns the Revision number of ShelXle. |
Revision: 1011 | 2019-11-16 08:05:13 | Linux Build: | |
Revision: 1010 | 2019-11-14 05:06:01 | Linux Build: | + WhatsThis in Helpmenu |
Revision: 1009 | 2019-11-13 13:06:03 | Linux Build: | + adding some WhatsThis information kindly provided by Tobias Stuerzer. |
Revision: 1008 | 2019-11-06 16:34:21 | Windows Build: | |
Revision: 1007 | 2019-11-06 06:25:51 | Mac Build: | + std:sort can not replace qSort on my old MacBookPro + -NH2 improved |
Revision: 1006 | 2019-10-31 04:45:40 | Mac Build: | + -NH2 improvements (to be tested) + qSort deprecateed in Qt5 replaced by std:sort + 'Finish gracefully' button was not hidden after WHGT refinement |
Revision: 1005 | 2019-10-29 21:04:29 | Windows Build: | |
Revision: 1004 | 2019-10-29 20:21:34 | Mac Build: | + -NH2 and >NH non planar in contextMenu should work |
Revision: 1003 | 2019-10-29 11:43:30 | Linux Build: | + addHnonplanarAminR2 and addHnonplanarAminR1 includes finding best position(s) in residual density and DFIX, DANG and SADI restraints for the H atom(s). TODO: chgl contextMenu call. ...testing. |
Revision: 1002 | 2019-10-25 04:40:08 | Mac Build: | |
Revision: 1001 | 2019-10-23 12:48:45 | Linux Build: | + trying to improve defden export IDEALBEDELONEBODD |
Revision: 1000 | 2019-10-21 19:02:45 | Windows Build: | |
Revision: 999 | 2019-10-21 18:30:53 | Mac Build: | |
Revision: 998 | 2019-10-21 16:49:20 | Linux Build: | + individual Hfix addH43(),addH23(),addH93(),addH163() + open saveHistory from refinement history |
Revision: 997 | 2019-10-20 18:11:10 | Windows Build: | |
Revision: 996 | 2019-10-20 17:42:32 | Mac Build: | + crashfix |
Revision: 995 | 2019-10-18 15:54:39 | Linux Build: | + changes by Daniel and christian on addSADI feature |
Revision: 994 | 2019-10-17 17:53:14 | Windows Build: | |
Revision: 993 | 2019-10-17 17:26:26 | Mac Build: | + savehistory styling |
Revision: 992 | 2019-10-17 12:50:26 | Linux Build: | + Memory eating PSE should be gone + insertSADI from Daniel merged with modifications + same for load_sheldrick |
Revision: 991 | 2019-10-11 16:44:45 | Windows Build: | |
Revision: 990 | 2019-10-11 15:43:25 | Mac Build: | Bonds w.o. gluCylinder works. SaveHistory less freaky buttons. |
Revision: 989 | 2019-10-04 18:25:52 | Linux Build: | + test of gluCylinder replacement |
Revision: 988 | 2019-08-26 19:36:39 | Windows Build: | |
Revision: 987 | 2019-08-26 18:31:02 | Mac Build: | |
Revision: 986 | 2019-08-26 14:50:12 | Linux Build: | + fixes by Daniel + BELO in Legend + Hide Logic for BEDE LONE objects + HFIX 148 probably improved |
Revision: 985 | 2019-08-05 18:35:19 | Windows Build: | |
Revision: 984 | 2019-08-05 17:14:34 | Mac Build: | |
Revision: 983 | 2019-08-05 14:31:30 | Linux Build: | + extra program icons: alternative icons can be used/ + Legend toggled off stay off on restart |
Revision: 982 | 2019-08-04 20:03:47 | Mac Build: | + icon text overlay: font size scalable and toggle off |
Revision: 981 | 2019-08-01 20:39:26 | Windows Build: | |
Revision: 980 | 2019-08-01 19:16:48 | Mac Build: | |
Revision: 979 | 2019-08-01 16:20:31 | Linux Build: | + fix fcvsfo selection worked only in positive mouse direction + extra programs can have an open file dialog before execution eg. to run xprep on a p4p file for a new project. |
Revision: 978 | 2019-07-31 21:34:39 | Windows Build: | + extraToolBar icons text overlay in black with white shadow, should be readable on most icons. |
Revision: 977 | 2019-07-31 18:36:03 | Mac Build: | |
Revision: 976 | 2019-07-31 14:52:11 | Linux Build: | + letters on extra program icons. This helps if several times the same program is used with different options. |
Revision: 975 | 2019-07-29 21:10:09 | Windows Build: | + Legend works somehow, but saveing pictures in resolutions than 100% is buggy... |
Revision: 974 | 2019-07-29 19:12:33 | Mac Build: | + fix export visible atoms did not follow hide part-n ghosts setting + An atom key legend |
Revision: 973 | 2019-07-15 15:16:20 | ||
Revision: 972 | 2019-07-15 14:05:59 | Mac Build: | |
Revision: 971 | 2019-07-15 13:56:27 | Linux Build: | + Ubuntu 16.04 needed more precise compiler switches |
Revision: 970 | 2019-07-14 14:54:44 | Windows Build: | |
Revision: 969 | 2019-07-14 14:29:57 | Mac Build: | + reverted nullptr which does now work on my macbook |
Revision: 968 | 2019-07-14 14:03:45 | Linux Build: | + fixes by Daniel |
Revision: 967 | 2019-07-13 07:27:47 | Windows Build: | |
Revision: 966 | 2019-07-13 06:28:51 | Mac Build: | + fix: rename any lead to wrong sfac number on Q-peaks. |
Revision: 965 | 2019-07-12 13:44:06 | Windows Build: | + minor fixes in installer script. |
Revision: 964 | 2019-07-12 13:01:36 | Windows Build: | |
Revision: 963 | 2019-07-12 11:30:34 | Windows Build: | + new installer for 64bit Qt5 Version + new installer banner pictures |
Revision: 962 | 2019-07-12 11:28:04 | Linux Build: | + 'Weed unused SFAC numbers' now asks if file saving is required. |
Revision: 961 | 2019-07-08 19:45:49 | Windows Build: | |
Revision: 960 | 2019-07-08 19:20:52 | Windows Build: | |
Revision: 959 | 2019-07-08 18:59:35 | Mac Build: | + fix: on some computers edit-atom-style dialog crashed/freezed when shaders are selected. |
Revision: 958 | 2019-05-16 15:14:00 | Windows Build: | |
Revision: 957 | 2019-05-16 14:51:40 | Mac Build: | |
Revision: 956 | 2019-05-16 06:53:40 | Linux Build: | + A crashfix when embeded in ApexIII a destruction of chgl caused a segfault. |
Revision: 955 | 2019-03-31 05:57:02 | Windows Build: | |
Revision: 954 | 2019-03-31 05:37:29 | Windows Build: | |
Revision: 953 | 2019-03-31 05:32:43 | Linux Build: | + fixes by Daniel |
Revision: 952 | 2019-02-13 19:11:36 | Windows Build: | + Shredcif.exe was not found from PATH environment variable |
Revision: 951 | 2019-02-13 18:58:46 | Mac Build: | |
Revision: 950 | 2019-02-13 18:53:40 | Linux Build: | + DSR: fixed bug that prevented fragment export from DSR |
Revision: 949 | 2019-01-17 19:17:45 | Windows Build: | |
Revision: 948 | 2019-01-17 18:51:39 | Mac Build: | |
Revision: 947 | 2019-01-17 18:37:30 | Linux Build: | delete all Q-peaks/ delete all hydrogen atoms lead to "show all" without changong the button states. |
Revision: 946 | 2018-12-20 13:21:10 | Windows Build: | |
Revision: 945 | 2018-12-20 13:06:21 | Mac Build: | |
Revision: 944 | 2018-12-20 13:01:48 | Linux Build: | + select ENVI + Henn Meindl Plot aka fractal dimension plot now in Tools Menu |
Revision: 943 | 2018-12-03 14:56:30 | Windows Build: | |
Revision: 942 | 2018-12-03 14:34:38 | Mac Build: | |
Revision: 941 | 2018-12-03 14:29:51 | Linux Build: | + pack inside given limits |
Revision: 940 | 2018-10-24 17:31:21 | Windows Build: | |
Revision: 939 | 2018-10-24 17:06:56 | Mac Build: | |
Revision: 938 | 2018-10-24 17:01:17 | Linux Build: | + crashfix auto-HFix |
Revision: 937 | 2018-08-25 19:55:16 | Windows Build: | |
Revision: 936 | 2018-08-25 18:36:58 | Mac Build: | + shred a CIF and load its res |
Revision: 935 | 2018-08-24 09:04:53 | Windows Build: | |
Revision: 934 | 2018-08-24 08:55:30 | Mac Build: | |
Revision: 933 | 2018-08-24 08:41:25 | Linux Build: | + daniels dsr window improvements |
Revision: 932 | 2018-08-18 08:55:29 | ||
Revision: 931 | 2018-08-18 08:30:35 | Mac Build: | |
Revision: 930 | 2018-08-18 08:26:20 | Linux Build: | + daniels latest changes... |
Revision: 929 | 2018-07-21 19:09:32 | Windows Build: | |
Revision: 928 | 2018-07-21 18:54:59 | Mac Build: | + fixing a crash with DISP instructions |
Revision: 927 | 2018-07-10 14:14:11 | Windows Build: | |
Revision: 926 | 2018-07-10 13:54:53 | Mac Build: | |
Revision: 925 | 2018-07-10 13:48:04 | Linux Build: | + bugfix centrois causing a crash |
Revision: 924 | 2018-06-07 20:01:53 | Windows Build: | |
Revision: 923 | 2018-06-07 19:42:43 | Mac Build: | |
Revision: 922 | 2018-06-07 19:37:13 | Linux Build: | + round... |
Revision: 921 | 2018-06-07 18:02:10 | Windows Build: | |
Revision: 920 | 2018-06-07 17:49:11 | Mac Build: | |
Revision: 919 | 2018-06-07 17:43:26 | Linux Build: | + DSR citation updated. + int getFvarCntr(int fvar); + #define round for visual studio 8 |
Revision: 918 | 2018-05-23 17:09:35 | Windows Build: | |
Revision: 917 | 2018-05-23 16:58:25 | Mac Build: | |
Revision: 916 | 2018-05-23 16:53:45 | Linux Build: | + finish shelxl gracefully so that results are in res file |
Revision: 915 | 2018-05-15 13:50:48 | Windows Build: | |
Revision: 914 | 2018-05-15 13:09:06 | Mac Build: | |
Revision: 913 | 2018-05-15 13:02:37 | Linux Build: | + chuebsch: fixed some typos in helper + kratzert: Added ability to change label color in DSRGlWindow + kratzert: updated citation + kratzert: Fixed appearing of previous refinement status in "visualize output" + kratzert: Fixing wrong count of UNIT caused by FVAR count changes in commit 513 |
Revision: 912 | 2018-04-24 08:16:59 | Windows Build: | |
Revision: 911 | 2018-04-24 08:06:13 | Mac Build: | |
Revision: 910 | 2018-04-24 08:01:59 | Linux Build: | + merge with kratzert + define switch for round removed as it makes problems in qt5 |
Revision: 909 | 2018-04-20 09:34:21 | Windows Build: | |
Revision: 908 | 2018-04-20 09:21:50 | Mac Build: | |
Revision: 907 | 2018-04-20 09:17:50 | Linux Build: | fixed a '642' message |
Revision: 906 | 2018-04-20 08:41:16 | Mac Build: | |
Revision: 905 | 2018-04-20 08:37:15 | Linux Build: | + recent changes by daniel kratzert + logic of toggle bede lone objects was inverse |
Revision: 904 | 2018-03-12 17:18:06 | Windows Build: | |
Revision: 903 | 2018-03-12 17:06:58 | Mac Build: | |
Revision: 902 | 2018-03-12 17:02:18 | Linux Build: | + External programs: option to copy ins to res (program is a variant of shelxl) |
Revision: 901 | 2018-02-23 07:29:48 | Linux Build: | + small fix for MS Visual Studio 9.0... |
Revision: 900 | 2018-02-21 17:27:55 | Windows Build: | |
Revision: 899 | 2018-02-21 17:12:16 | Mac Build: | |
Revision: 898 | 2018-02-21 17:04:25 | Linux Build: | + load/save-Orientation(QString fn) + clearLists() to remove loaded structures |
Revision: 897 | 2018-02-13 14:21:05 | Windows Build: | |
Revision: 896 | 2018-02-13 14:08:32 | Mac Build: | |
Revision: 895 | 2018-02-13 14:01:40 | Linux Build: | + merge from daniel... |
Revision: 894 | 2018-02-06 15:28:46 | Windows Build: | |
Revision: 893 | 2018-02-06 15:15:49 | Mac Build: | |
Revision: 892 | 2018-02-06 15:02:17 | Linux Build: | + change element to H -> better position and label for H atoms. |
Revision: 891 | 2018-01-19 16:20:01 | Windows Build: | |
Revision: 890 | 2018-01-19 16:05:58 | Mac Build: | |
Revision: 889 | 2018-01-19 16:01:39 | Linux Build: | + change PART or RESI of selected atoms |
Revision: 888 | 2018-01-16 14:45:49 | Windows Build: | |
Revision: 887 | 2018-01-16 14:09:49 | Linux Build: | + fcf6 by hkl option now selaectable in base part of ShelXle (next to 'Calculate Maps') + hklf 3 and scaling and Matrix options work as well + SHEL and OMIT -2 2thetalim |
Revision: 886 | 2018-01-11 12:49:30 | Windows Build: | -fcf6 now works also on Windows |
Revision: 885 | 2018-01-11 10:40:05 | Windows Build: | |
Revision: 884 | 2018-01-11 10:18:47 | Mac Build: | |
Revision: 883 | 2018-01-11 10:09:12 | Linux Build: | + dk:graphical improvements in dsrgui + test: create own fcf6 file (no LIST 6 required) HKLF 4 required. Start with -fcf6 to test |
Revision: 882 | 2017-12-13 12:25:04 | Windows Build: | |
Revision: 881 | 2017-12-13 12:08:27 | Mac Build: | |
Revision: 880 | 2017-12-13 12:03:22 | Linux Build: | |
Revision: 879 | 2017-12-12 20:39:59 | Windows Build: | |
Revision: 878 | 2017-12-12 20:25:56 | Mac Build: | |
Revision: 877 | 2017-12-12 20:11:54 | Linux Build: | + improved selection behavior on growed q-peaks |
Revision: 876 | 2017-12-06 15:29:44 | Windows Build: | |
Revision: 875 | 2017-12-06 15:07:23 | Mac Build: | |
Revision: 874 | 2017-12-06 15:01:10 | Linux Build: | + daniel introduced a checkbox for overriding an automated -b B-array guess. + fixed crash caused by large R(int) or R(sigma) values |
Revision: 873 | 2017-11-30 21:29:06 | Windows Build: | |
Revision: 872 | 2017-11-30 20:38:21 | Mac Build: | |
Revision: 871 | 2017-11-30 20:33:16 | Linux Build: | + better value for -b array |
Revision: 870 | 2017-11-19 07:30:06 | Windows Build: | |
Revision: 869 | 2017-11-19 07:17:46 | Mac Build: | |
Revision: 868 | 2017-11-19 07:13:07 | Linux Build: | + lableing oh hydrogen atoms was strange + Daniel improved the shx_helper |
Revision: 867 | 2017-11-06 10:03:22 | Windows Build: | |
Revision: 866 | 2017-11-06 09:51:03 | Mac Build: | |
Revision: 865 | 2017-11-06 09:45:52 | Linux Build: | + changes by daniel + thanks to satarsa code compiles also towards QT5 |
Revision: 864 | 2017-10-23 07:53:24 | Windows Build: | |
Revision: 863 | 2017-10-23 07:39:03 | Mac Build: | |
Revision: 862 | 2017-10-23 07:31:39 | Linux Build: | + fix in dsr plugin by daniel |
Revision: 861 | 2017-08-04 08:51:51 | Windows Build: | |
Revision: 860 | 2017-08-04 08:41:53 | Mac Build: | now 79 characters per line are the new maximum in shelxl. |
Revision: 859 | 2017-07-04 17:59:20 | ||
Revision: 858 | 2017-07-04 17:43:13 | Mac Build: | |
Revision: 857 | 2017-07-04 13:06:16 | Linux Build: | m=4 |
Revision: 856 | 2017-07-03 17:55:15 | Windows Build: | |
Revision: 855 | 2017-07-03 17:41:58 | Mac Build: | |
Revision: 854 | 2017-07-03 17:37:11 | Linux Build: | some more lone |
Revision: 853 | 2017-06-21 08:45:45 | Windows Build: | |
Revision: 852 | 2017-06-21 08:30:04 | Mac Build: | |
Revision: 851 | 2017-06-21 08:16:37 | Linux Build: | + DK + -voxel 10x10x10 to fix Fourier map dimensions. |
Revision: 850 | 2017-05-30 07:35:47 | Windows Build: | |
Revision: 849 | 2017-05-30 07:21:43 | Mac Build: | |
Revision: 848 | 2017-05-30 07:14:43 | Linux Build: | + changes by Daniel |
Revision: 847 | 2017-05-24 13:09:33 | Windows Build: | |
Revision: 846 | 2017-05-24 12:53:31 | Mac Build: | |
Revision: 845 | 2017-05-24 12:49:03 | Linux Build: | + 'number of atoms in asymmetric unit to skip automatic distance calculation on loading' + 'hide fragment with symmetry or wo' |
Revision: 844 | 2017-05-02 13:48:34 | Windows Build: | |
Revision: 843 | 2017-05-02 13:25:54 | Mac Build: | |
Revision: 842 | 2017-05-02 13:20:47 | Linux Build: | + try tor refine until WHGT converges jumped top to bottom during refinement |
Revision: 841 | 2017-04-21 21:52:20 | Windows Build: | |
Revision: 840 | 2017-04-21 21:38:01 | Mac Build: | fix in fix some parameters. |
Revision: 839 | 2017-03-31 13:55:52 | Windows Build: | |
Revision: 838 | 2017-03-31 13:29:13 | Mac Build: | |
Revision: 837 | 2017-03-31 13:10:09 | Linux Build: | + improvments by daniel + unique H-labels for non zero part without residues |
Revision: 836 | 2017-03-13 12:26:14 | Windows Build: | |
Revision: 835 | 2017-03-13 12:15:05 | Mac Build: | |
Revision: 834 | 2017-03-13 12:08:52 | Linux Build: | + typos + ascii logo + changes by daniel k |
Revision: 833 | 2017-02-09 21:59:54 | Windows Build: | |
Revision: 832 | 2017-02-09 17:38:39 | Mac Build: | |
Revision: 831 | 2017-02-09 15:55:39 | Linux Build: | + export FFT maps as cube files + export static bede/lone defden =>to be checked + fixed some typos + changes by daniel... |
Revision: 830 | 2017-02-03 19:03:45 | Windows Build: | |
Revision: 829 | 2017-02-03 18:48:57 | Mac Build: | |
Revision: 828 | 2017-02-03 15:06:48 | Linux Build: | + LONE if m=2 + belo find in structure + hide belo |
Revision: 827 | 2017-02-01 21:56:05 | Windows Build: | bede needs 6 arguments |
Revision: 826 | 2017-02-01 20:53:01 | Linux Build: | + again problems with weight ...aeh WGHT |
Revision: 825 | 2017-01-27 17:45:36 | Windows Build: | |
Revision: 824 | 2017-01-27 17:16:04 | Mac Build: | |
Revision: 823 | 2017-01-27 14:50:39 | Linux Build: | + links changed |
Revision: 822 | 2017-01-25 16:43:35 | Mac Build: | belo only bede sofar |
Revision: 821 | 2017-01-24 23:07:52 | Windows Build: | now 'change Element to' in contextMenuEvent is not there when symmetry equivalent atoms are clicked. |
Revision: 820 | 2017-01-24 22:40:36 | Mac Build: | |
Revision: 819 | 2017-01-24 22:20:24 | Linux Build: | + some chages and fixes made by daniel |
Revision: 818 | 2017-01-05 21:48:00 | Mac Build: | |
Revision: 817 | 2017-01-05 21:31:02 | Windows Build: | + fix: some numbers were reported incorrectly in covergeWGHT() |
Revision: 816 | 2016-11-03 14:24:34 | Windows Build: | |
Revision: 815 | 2016-11-03 13:52:49 | Mac Build: | |
Revision: 814 | 2016-11-03 12:06:14 | Linux Build: | |
Revision: 813 | 2016-10-22 20:30:52 | Windows Build: | |
Revision: 812 | 2016-10-22 05:22:21 | Mac Build: | |
Revision: 811 | 2016-10-22 05:06:39 | Linux Build: | + fixes and featurers by DK |
Revision: 810 | 2016-10-14 16:46:25 | Mac Build: | |
Revision: 809 | 2016-10-14 15:11:03 | Windows Build: | |
Revision: 808 | 2016-10-14 14:42:38 | Linux Build: | + many improvments by Daniel Kratzert. |
Revision: 807 | 2016-09-11 15:59:06 | Windows Build: | |
Revision: 806 | 2016-09-11 15:27:53 | Mac Build: | |
Revision: 805 | 2016-09-11 14:58:26 | Linux Build: | + Daniel made a visual output plot widget |
Revision: 804 | 2016-09-03 16:47:41 | Windows Build: | |
Revision: 803 | 2016-09-03 16:08:05 | Linux Build: | + some fixes. + marked lines in editor can bes sorted by right click context menu. |
Revision: 802 | 2016-08-23 20:40:38 | Mac Build: | |
Revision: 801 | 2016-08-23 15:02:23 | Windows Build: | |
Revision: 800 | 2016-08-23 13:20:48 | Linux Build: | + fix resolution in FcvsFo was wrong caculated. |
Revision: 799 | 2016-08-16 23:37:21 | Mac Build: | |
Revision: 798 | 2016-08-16 13:53:20 | Windows Build: | |
Revision: 797 | 2016-08-16 12:40:06 | Linux Build: | fix |
Revision: 796 | 2016-08-16 08:39:43 | Linux Build: |
- REMOVED FEATURE: depth cueing
- REMOVED FEATURE: x-ray view + NEW FEATURE: Multi-Sample Anti-Aliasing (MSAA) use F4 to toggle it off |
Revision: 795 | 2016-08-11 20:15:31 | Mac Build: | |
Revision: 794 | 2016-08-11 13:50:16 | Windows Build: | minimum GLSL Version is 1.20 on systems that do not met this shaders are disabled. |
Revision: 793 | 2016-08-10 01:47:51 | Windows Build: | + fix |
Revision: 792 | 2016-08-09 22:18:43 | Windows Build: | using now QGLShaderProgram |
Revision: 791 | 2016-08-09 17:43:32 | Mac Build: | + multisample anti alias (msaa) + insert ACTA and refine |
Revision: 790 | 2016-08-09 09:42:07 | Linux Build: | + GLSL shader for atoms + shaders can be enabbed ony if suported by openGL implemntation. + replacing gluSphere by subdevided icosahedron in 3 different levels. + level of detail (LOD) should be: 2 less or equal then LOD less or equal then 4 . |
Revision: 789 | 2016-08-02 17:27:43 | Windows Build: | |
Revision: 788 | 2016-08-02 16:42:04 | Mac Build: | |
Revision: 787 | 2016-08-02 14:09:07 | Linux Build: | more polyeders fixing some bugs |
Revision: 786 | 2016-07-15 20:45:59 | Windows Build: | |
Revision: 785 | 2016-07-15 20:12:58 | Mac Build: | display List names bas and wirbas are now static const int variables |
Revision: 784 | 2016-07-15 13:16:46 | Linux Build: | |
Revision: 783 | 2016-07-14 17:50:55 | Windows Build: | |
Revision: 782 | 2016-07-14 17:32:12 | Mac Build: | improved GLList handling... |
Revision: 781 | 2016-07-14 14:55:01 | Linux Build: | recent changes by daniel |
Revision: 780 | 2016-07-08 09:25:10 | Windows Build: | |
Revision: 779 | 2016-07-08 09:10:55 | Linux Build: | |
Revision: 778 | 2016-07-08 09:08:57 | Linux Build: | + recent changes from Daniel |
Revision: 777 | 2016-07-08 00:16:18 | Mac Build: | |
Revision: 776 | 2016-07-07 19:05:44 | Windows Build: | 64 bit version |
Revision: 775 | 2016-07-07 13:04:07 | Linux Build: | improved use of glu Quadrics. |
Revision: 774 | 2016-07-04 17:29:24 | Mac Build: | |
Revision: 773 | 2016-07-04 14:47:26 | Linux Build: | + daniel: Clicking on Invert also inverts the 3D view now. |
Revision: 772 | 2016-07-04 09:44:51 | Linux Build: | + daniels edits on DSR-GUI + About dialog reports about the 64/32 bit width used in the actual binary of ShelXle. |
Revision: 771 | 2016-06-30 09:10:58 | Windows Build: | |
Revision: 770 | 2016-06-02 21:24:47 | Windows Build: | |
Revision: 769 | 2016-06-02 21:05:16 | Mac Build: | |
Revision: 768 | 2016-06-02 15:51:13 | Linux Build: | + daniel |
Revision: 767 | 2016-06-01 08:18:37 | Linux Build: | + new SHELX commands LONE and BEDE included in the list of know instructions. + dsr updates by daniel |
Revision: 766 | 2016-05-20 16:50:24 | Windows Build: | |
Revision: 765 | 2016-05-20 11:27:47 | Linux Build: | + changes by daniel kratzert + memory leak when loading to large fcf maps fixed. + fixed this warningi: "libpng warning: iCCP: known incorrect sRGB profile". |
Revision: 764 | 2016-04-05 19:16:54 | Windows Build: | |
Revision: 763 | 2016-04-05 19:06:21 | Mac Build: | |
Revision: 762 | 2016-04-05 19:01:06 | Linux Build: | |
Revision: 761 | 2016-04-04 18:26:39 | Windows Build: | |
Revision: 760 | 2016-04-04 18:08:54 | Mac Build: | |
Revision: 759 | 2016-04-04 14:28:15 | Linux Build: | + some dsr features by daniel. + grow does not complete automatically anymore which helps loading larege alloy stuctures. Find 'complete' in pack menu. |
Revision: 758 | 2016-01-26 17:39:09 | Windows Build: | |
Revision: 757 | 2016-01-26 16:52:20 | Mac Build: | |
Revision: 756 | 2016-01-26 16:02:37 | Linux Build: | here comes the DSR plugin. Thaks to Daniel Kratzert for this contribution! |
Revision: 755 | 2016-01-26 14:22:54 | Linux Build: | fix of the fix in Rev 751 |
Revision: 754 | 2016-01-26 13:07:58 | +Layout for History widget | |
Revision: 753 | 2016-01-14 22:59:25 | Windows Build: | |
Revision: 752 | 2016-01-14 22:43:07 | Mac Build: | |
Revision: 751 | 2016-01-14 22:28:05 | fixed a freeze when the " REM" was not atthe beginning of a line in .lst file | |
Revision: 750 | 2015-11-21 21:17:26 | Windows Build: | |
Revision: 749 | 2015-11-21 21:07:53 | Mac Build: | + fix of the crash fix before. |
Revision: 748 | 2015-11-13 13:03:25 | Windows Build: | |
Revision: 747 | 2015-11-13 12:49:09 | Mac Build: | |
Revision: 746 | 2015-11-13 12:41:26 | Linux Build: | + crashfix on structures with only 1 isolated atom. + colors of ENVI contact lines can be changed now. |
Revision: 745 | 2015-10-16 19:26:46 | Mac Build: | + improved visibility logic of hide hydrogens button. |
Revision: 744 | 2015-10-16 14:27:16 | Linux Build: | |
Revision: 743 | 2015-10-09 15:55:57 | Mac Build: | |
Revision: 742 | 2015-10-09 12:19:40 | Windows Build: | |
Revision: 741 | 2015-10-09 11:45:17 | Linux Build: | A useless Error Message on Windows computers with touch screens will no longer show up. |
Revision: 740 | 2015-08-20 20:57:46 | Windows Build: | |
Revision: 739 | 2015-08-20 20:35:00 | Mac Build: | |
Revision: 738 | 2015-08-20 14:09:31 | Linux Build: | some zoom and matrix funtions for testing ... |
Revision: 737 | 2015-08-10 16:34:15 | Windows Build: | |
Revision: 736 | 2015-08-10 16:10:42 | Linux Build: | crashfix for autoHFIX |
Revision: 735 | 2015-08-06 18:17:23 | Mac Build: | |
Revision: 734 | 2015-08-06 10:02:08 | Windows Build: | |
Revision: 733 | 2015-08-06 09:52:21 | Linux Build: | + fixed a problem with Qt older than 4.7 |
Revision: 732 | 2015-07-13 17:56:42 | Windows Build: | |
Revision: 731 | 2015-07-13 17:40:35 | Mac Build: | |
Revision: 730 | 2015-07-13 17:30:17 | Linux Build: | fixed some crashes when functions are used without files loaded |
Revision: 729 | 2015-07-03 07:22:13 | Windows Build: | |
Revision: 728 | 2015-07-03 04:57:25 | Mac Build: | |
Revision: 727 | 2015-07-02 10:06:35 | Linux Build: | some fixes by Joerg Kaercher |
Revision: 726 | 2015-07-01 16:38:53 | Mac Build: | |
Revision: 725 | 2015-07-01 13:42:03 | Windows Build: | |
Revision: 724 | 2015-07-01 13:02:49 | Linux Build: | bugixes by joerg kaercher |
Revision: 723 | 2015-06-02 20:08:41 | Windows Build: | |
Revision: 722 | 2015-06-02 19:40:40 | Mac Build: | |
Revision: 721 | 2015-06-02 15:48:14 | Linux Build: | + a blank button in top of the editor to prevent jumping lines when an error occurs by remarking a line. |
Revision: 720 | 2015-05-08 07:37:24 | Mac Build: | |
Revision: 719 | 2015-05-08 07:26:08 | Windows Build: | |
Revision: 718 | 2015-05-07 14:03:31 | Linux Build: | + Ga added to calculator + after loading a file all previous hidings are removed (q-peaks) + renaming residues class and number order issue fixed. + residues may be now of class "RESI" (RESI RESI 1 or RESI 1 RESI) |
Revision: 717 | 2015-04-14 19:14:36 | Mac Build: | |
Revision: 716 | 2015-04-14 19:04:44 | Windows Build: | |
Revision: 715 | 2015-04-14 09:12:54 | Linux Build: | fix: sort order menu option was missing. |
Revision: 714 | 2015-03-19 18:59:22 | Windows Build: | |
Revision: 713 | 2015-03-19 18:38:51 | Mac Build: | some fixes for APEXIII |
Revision: 712 | 2015-03-05 19:43:39 | Mac Build: | |
Revision: 711 | 2015-03-05 09:43:11 | Windows Build: | |
Revision: 710 | 2015-03-05 08:05:12 | Linux Build: | + new features in calculator by pavlo + if saving screenshot fails some work arounds are used, but only in screen resolution. |
Revision: 709 | 2015-02-02 23:06:14 | Windows Build: | |
Revision: 708 | 2015-02-02 22:05:59 | Mac Build: | |
Revision: 707 | 2015-02-02 14:39:52 | Linux Build: | + multiple command line options are now possible for external programs + 1,3 Distance is now calulated beside the angle when clicking 3 atoms in a row (information window) [Ctrl]+[F5] reloads the current file from harddisk. |
Revision: 706 | 2015-01-23 13:47:27 | Mac Build: | |
Revision: 705 | 2015-01-23 13:30:00 | Windows Build: | |
Revision: 704 | 2015-01-23 11:29:36 | Linux Build: | + changes by Pavlo + fix UPDATE UNIT does not print numbers in Exp notation anymore + fix extra programs expecting any key can eat a new line now. (Mhh yummy!) + the offline help has ben removed there is a link for thoe onlien help now instead. |
Revision: 703 | 2015-01-16 22:24:41 | Windows Build: | |
Revision: 702 | 2015-01-16 22:10:36 | Mac Build: | |
Revision: 701 | 2015-01-16 12:54:55 | Linux Build: | + some improvements by Pavlo on his calculator |
Revision: 700 | 2015-01-12 16:18:28 | Mac Build: |