[PyMOL] Disable ray tracing in script for volumes

2017-02-23 Thread Thomas Grant
Dear all, I've written a .pml script to render volumes and save png files. The script works fine when running it from the GUI, but for some reason when I run in command line mode with pymol -cqr myscript.pml the image saved is blank. It appears that when running from the command line it automatic

Re: [PyMOL] RMSD calculation sans alignment

2011-07-22 Thread Thomas Grant
CA), (1ra1 and name CA) > rms (1rx1 and name CA), (1ra1 and name CA) > > Cheers, > > -Michael > > > On Fri, Jul 22, 2011 at 10:19 AM, Thomas Grant wrote: > >> Dear all, >> >> I'm attempting to align a series of structures using the CEAlign plug-in &g

[PyMOL] RMSD calculation sans alignment

2011-07-22 Thread Thomas Grant
Dear all, I'm attempting to align a series of structures using the CEAlign plug-in in PyMOL due to a lack of any detectable sequence homology. CEAlign does a good job of aligning and the fits are very reasonable. However, the RMSD that is calculated is based only on the c-alphas that were actual

Re: [PyMOL] Bug in Snow Leopard

2010-10-26 Thread Thomas Grant
lopers or other python- or X11-savvy folks? I’m afraid I’m not one > of them. > > > > Jared > > > > -- > > Jared Sampson > > Xiangpeng Kong Lab > > NYU Langone Medical Center > > New York, NY 10016 > > (212) 263-7898 > > > >

[PyMOL] Bug in Snow Leopard

2010-10-25 Thread Thomas Grant
Hi all, I'm using PyMOL version 1.3 installed via Fink on my MacBook Pro with Snow Leopard 10.6.4. I've noticed a strange OS-specific bug when using the Spaces feature of my Mac while running PyMOL. If I attempt to change Space, my system appears to do some sort of restart, without actually rest

[PyMOL] Delete states function?

2010-10-08 Thread Thomas Grant
Hi all, I've recently run a molecular dynamics simulation in Amber and have been using PyMOL to create a simple movie of the trajectory. The smooth command helps a lot with seeing the large motions I'm interested in. However, my movie seems to run quite slow. Actually it runs quite fast, some 6

[PyMOL] Fwd: [ccp4bb] Warren DeLano

2009-11-05 Thread Thomas Grant
For those of you who are not subscribed to the CCP4 Bulletin Board. -- Forwarded message -- From: Axel Brunger Date: Thu, Nov 5, 2009 at 1:54 PM Subject: [ccp4bb] Warren DeLano To: ccp...@jiscmail.ac.uk Dear CCP4 Community: I write today with very sad news about Dr. Warren Lyfo