Re: [PyMOL] Embedding PyMOL

2011-10-06 Thread Guido Wagner
Dear Dan, for me this sample program works: import sys sys.path.append(/home/guido/pymol1.3/pymol-1.3r2/modules) from OpenGL.GL import * from OpenGL.GLU import * from PyQt4 import QtGui from PyQt4.QtOpenGL import * from PyQt4.Qt import Qt from PyQt4 import QtCore import pymol2 class

[PyMOL] a quick Q: How do I get the atom name quickly

2011-10-06 Thread lina
Hi, How can I print the small ligand's atoms name quickly, not by label, just interesting their names, Thanks ahead, -- Best Regards, lina -- All the data continuously generated in your IT infrastructure contains a

Re: [PyMOL] a quick Q: How do I get the atom name quickly

2011-10-06 Thread Андрей Гончар
http://www.pymolwiki.org/index.php/Iterate iterate [ligand_name], print name 2011/10/6 lina lina.lastn...@gmail.com: Hi, How can I print the small ligand's atoms name quickly, not by label, just interesting their names, Thanks ahead, -- Best Regards, lina

[PyMOL] Fwd: Rendering 3D Surveys with Pymol

2011-10-06 Thread Thomas Holder
Dear PyMOL users, I don't know how many cavers are in this audience, but if you are curious what PyMOL can be used for apart from displaying molecules, have a look at the post below! Cheers, Thomas Original Message Subject: Rendering 3D Surveys with Pymol Date: Wed, 5 Oct

Re: [PyMOL] Fwd: Rendering 3D Surveys with Pymol

2011-10-06 Thread Tsjerk Wassenaar
I just can't help myself... (for instance, a rainbow colour scheme based on survey trip?) Can he do a colour scheme based on LSD trip too? But it's cool :) Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for

Re: [PyMOL] Embedding PyMOL

2011-10-06 Thread Jason Ferrara
Hi Dan, I see two issues. First is that you need to call pymol.start() before calling any of the pymol.cmd methods. Second is that PyMOL 1.4 attempts OpenGL shader initialization in start(), even if you're not using the shaders. With PyMOL 1.3 your code below would probably work once you

Re: [PyMOL] Embedding PyMOL

2011-10-06 Thread Dan O'Donovan
First is that you need to call pymol.start() before calling any of the pymol.cmd methods. Thanks Guido and Jason - this did indeed get things working for me. By the way, here is a screenshot of a Qt based app I did that uses embedded pymol. That looks pretty cool - very impressive! I'm