Re: [PyMOL] Rotate protein to align principal axes

Hi Spencer, Thank you very much for the script! I'll test it out right away. Best, JJ On 1 Sep 2016, at 10:31 AM, Spencer Bliven > wrote: Jingjie, I've used a script for calculating the principal components

Re: [PyMOL] Rotate protein to align principal axes

Jingjie, I've used a script for calculating the principal components ( https://github.com/sbliven/principal_axes). The computeprincipalaxes function returns the axes. With a bit of linear algebra you should be able to use that to get a transformation matrix to apply to the coordinates. This can

Re: [PyMOL] Rotate protein to align principal axes

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# > wrote: Hi Jared, Thank you very much for your information. However, it seems that

Re: [PyMOL] Pymol Command window not displaying

Hi Srikanth, Is your custom Python installation properly set up with the custom Tcl/Tk installation? Does the following work and open a Tk window? shell> /app/python/intel/2.7.12/bin/python # path guessed python> import Tkinter python> Tkinter.Tk() If not, then I think you need to set

Re: [PyMOL] Rotate protein to align principal axes

Hi Jared, Thank you very much for your information. However, it seems that orient only changes the viewpoint, may I know whether it would possible to change the coordinates accordingly and save it into a pdb? Best Regards, Jingjie On 31 Aug 2016, at 10:16 PM, Sampson, Jared M.