Re: [PyMOL] How to draw clashes in pymol -> integration/plug-in of Molprobity in PyMol???

2014-10-27 Thread Robert Immormino
This would be great. I'm more than a bit rusty with programming, so I'm not sure I'd be able to figure out how to build a pymol plugin. But I'd be happy to provide the cgo generating script or answer questions about reduce or probe. -bob On Wed, Oct 22, 2014 at 2:11 PM, Tim Schulte wrote: > H

Re: [PyMOL] How to draw clashes in pymol -> integration/plug-in of Molprobity in PyMol???

2014-10-22 Thread Schubert, Carsten [JRDUS]
Tim: Good suggestion, I would second this effort. Thanks for raising the issue Cheers, Carsten From: Tim Schulte [mailto:tim.schu...@ki.se] Sent: Wednesday, October 22, 2014 2:11 PM To: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] How to draw clashes in pymol -> integration/plug-in

Re: [PyMOL] How to draw clashes in pymol -> integration/plug-in of Molprobity in PyMol???

2014-10-22 Thread Tim Schulte
Hej everybody, my question is related to this post. I am just analyzing a structure and really like the way Molprobity puts out information about hydrogen bonds and vdW contacts and so on. It is also possible to take advantage of this analysis in phenix during/after refinement, because Coot pr

Re: [PyMOL] How to draw clashes in pymol

2014-08-29 Thread Robert Immormino
Hi Bondurant, I really like the merging of the graphic beauty of pymol with the detailed depictions of reduce and probe. I have a method that is a bit clunky for doing what you ask, but I don't know if it ever made it to the mainstream in MolProbity. The caveat of wanting to work with a ligand m

Re: [PyMOL] How to draw clashes in pymol

2014-08-29 Thread Gianluca Santoni
Why don't you to modify the show_bump.py file? You could try playing with the line cmd.show_as('cgo', name) and change cgo to, for exemple, dots and see what happens. Cheers On 8/29/14 4:30 PM, Bondurant wrote: > Hello community, > I would like to draw a figure similar to this one > http://www.ce

[PyMOL] How to draw clashes in pymol

2014-08-29 Thread Bondurant
Hello community, I would like to draw a figure similar to this one http://www.cell.com/cms/attachment/615980/4968633/gr1.jpg showing the clashes between a potential ligand and the protein. The only way i know how to do this in pymol is using the show_bumps plugin, but i don't really like the "red d