[PyMOL] Using 'python' and 'python end' in pymol scripts

2016-10-19 Thread #YEO JINGJIE#
Dear Users, I am trying to implement a script which uses a mix of pymol and python scripting. I enclosed the main portion within the 'python' and 'python end' commands. This runs perfectly fine in Pymol GUI mode, however when I tried it with 'pymol -cg my_script.py', it generates an error: Tra

Re: [PyMOL] Rotate protein to align principal axes

2016-09-01 Thread #YEO JINGJIE#
proach might be to use the orient command, and then use get_view to extract the view matrix. Applying the inverse of this to the coordinates should orient them along the XY axes. -Spencer On Thu, Sep 1, 2016 at 3:46 PM, #YEO JINGJIE# mailto:jy...@e.ntu.edu.sg>> wrote: Hi Jared,

Re: [PyMOL] Rotate protein to align principal axes

2016-09-01 Thread #YEO JINGJIE#
I think I've answered my own question: https://sourceforge.net/p/pymol/mailman/message/27824450/ Thanks a lot Jared! On 1 Sep 2016, at 9:47 AM, #YEO JINGJIE# mailto:jy...@e.ntu.edu.sg>> wrote: Hi Jared, Thank you very much for your information. However, it seems that orient only

Re: [PyMOL] Rotate protein to align principal axes

2016-09-01 Thread #YEO JINGJIE#
ndex.php/Rotate>`, you can get the molecule aligned in whichever orientation you prefer. E.g: orient myprotein turn x, 90 turn y, -90 Hope that helps. Cheers, Jared On Aug 31, 2016, at 6:10 PM, #YEO JINGJIE# mailto:jy...@e.ntu.edu.sg>> wrote: Dear Users, May I know whether there a

[PyMOL] Rotate protein to align principal axes

2016-08-31 Thread #YEO JINGJIE#
Dear Users, May I know whether there are any methods in pymol to rotate a protein such that it's longest principal axis is in a particular direction, for instance aligned to the x-axis? Best Regards, Jingjie **Disclaimer** The sender of this email does not represent Nanyang Technological Unive