ShelXle - A Qt GUI for SHELXL

Frequently Asked Questions (FAQ)

Content:
The Editor    FAQ    Renaming atoms    Settings    Symmetry related things   

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How can I refine structures with ShelXle?

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

Why is this program called ShelXle?

The name ShelXle can be read as SHELXL Editor or you can read there the surnames of the authors SHELdrick and HübschLE. The ending LE is also the Swabian diminutive indicating that this program (writen by a Swabian) is only a tiny cute contribution to the crystallographic field.

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How can get better placed H-atoms with 'Auto H-FIX'

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How to compile the source code?

  1. Download the latest source code from here.
  2. Unpack it and change in the source directory. 
    tar xvjf shelxle-1.0.*.tar.bz2
cd shelxle-1.0.*/
  3. Run qmake. If Qt3 is installed on your machine qmake might be called 'make-q4' 
    qmake
  4. Run make. 
    make 
sudo make install
  5. That's it!

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How to cite ShelXle in my scientific work?

Please cite ShelXle like this:
C. B. Hübschle, G. M. Sheldrick and B. Dittrich, J. Appl. Cryst., 44, (2011) 1281-1284.
[ doi:10.1107/S0021889811043202 ]

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How can I change the colors or style of atoms and bonds?

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

I found a bug in ShelXle, what should I do?

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How can I measure distances and angles in ShelXle?

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How put atoms into a PART or RESIdue?

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

How to create and use a centroid?

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top   

Is ShelXle phoning HOME?

When you start ShelXle it calls this link to figure out if your version is up to date. If it is out dated you see a pop up like this:

update!

If you say 'No' here you will never be annoyed later and ShelXle does not call any site at startup. ShelXle does never send further information to any site! You can force checking by clicking 'Check for new versions now' in the help menu and then you can change your choice for startup chencking at any time.

Content:
Top    How can I refine structures with ShelXle?    Why is this program called ShelXle?    How can get better placed H-atoms with 'Auto H-FIX'    How to compile the source code?    How to cite ShelXle in my scientific work?    How can I change the colors or style of atoms and bonds?    I found a bug in ShelXle, what should I do?    How can I measure distances and angles in ShelXle?    How put atoms into a PART or RESIdue?    How to create and use a centroid?    Is ShelXle phoning HOME?    Top