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: |