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.
mailto:jms2...@
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 TCL_L
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
changes the v
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 be
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
mailto:spencer.bli...@gmail.com>> wrote:
Jingjie,
I've used a script for calculating the principal components
(https://github.com/sbliven/principal_axes). The comp
