Re: [PyMOL] using pymol from python script

2011-02-18 Thread John Russo
Thanks for the reply (and the welcome). With your suggestion I can get a raytraced image. Is there a way to get a normal/OpenGL image staying in batch mode? All those shades are quite disturbing, since real molecules don't have a shade! :-) On 02/18/2011 04:52 PM, Tsjerk Wassenaar wrote: > Hi

Re: [PyMOL] using pymol from python script

2011-02-18 Thread Jason Vertrees
Hi John, You don't actually need to ray trace before saying any more. That was an older "feature". Here's what worked for me: # save this to examply.py from pymol import cmd cmd.load(sys.argv[1]) cmd.hide() cmd.show("spheres") cmd.set('sphere_scale',0.3) cmd.set('orthoscopic',1) cmd.png("print

Re: [PyMOL] using pymol from python script

2011-02-18 Thread John Russo
Hi, your program looks exactly like mine, but I don't get the png image if I don't raytrace it before. I think everything else is working because if I run interectively the molecule is loaded properly, and by just adding the cmd.ray command gives me a correct image (but raytraced). I'm running ver

Re: [PyMOL] using pymol from python script

2011-02-18 Thread Jason Vertrees
Hi John, > I'm running version Version 1.2r2. This is probably why. I don't recall the exact version in which this became doable, but it's now available in the latest version. Cheers, -- Jason -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) jason.vertr...@schrodinger.com (

Re: [PyMOL] using pymol from python script

2011-02-18 Thread John Russo
Thanks, it seems that Ubuntu has a quite updated pymol version in its repositories. I will install a new version by hand. John On 02/18/2011 05:43 PM, Jason Vertrees wrote: > Hi John, > >> I'm running version Version 1.2r2. > This is probably why. I don't recall the exact version in which th

Re: [PyMOL] Getting object names

2011-02-18 Thread Thomas Holder
Hi Bradley, if your group is named "mygroup", then do the following: print cmd.get_object_list('(mygroup)') Cheers, Thomas On Wed, Feb 16, 2011 at 12:19 AM, Bradley Hintze wrote: > Hi all, > I know that you can get ALL pymol object names by running cmd.get_names() > but if you have objects i