Re: [PyMOL] " Global Diffusion Models"

2021-04-25 Thread Mooers, Blaine H.M. (HSC)
(Arun: this is a resent e-mail. My first e-mail was deleted along with spam messages. Thomas Holder asked me to resend it.) Hi Arun, I am able to run your script (run ELM_ellipsoid.py) in PyMOL without reported errors or warnings, and it displays an ellipsoid centered on the hardwired position

Re: [PyMOL] " Global Diffusion Models"

2021-04-25 Thread Mooers, Blaine H.M. (HSC)
Hi Arun, I am able to run your script (run ELM_ellipsoid.py) in PyMOL without reported errors or warnings, and it displays an ellipsoid centered on the hardwired position in the script. It looks like you need to edit the script to supply the center of mass of your structure, the lengths of th