Re: [PyMOL] Creating Contact Surfaces in Pymol

2007-09-02 Thread Andrew D. Fant
Thanks Warren and Tsjerk for your hints. This will keep me busy for a while playing with options. Andy Andrew D. Fant wrote: > Is there an easy way to refer to/select a portion of a molecular > surface that is within a given distance of another molecule's surface? > I'm

[PyMOL] Creating Contact Surfaces in Pymol

2007-08-31 Thread Andrew D. Fant
Is there an easy way to refer to/select a portion of a molecular surface that is within a given distance of another molecule's surface? I'm trying to generate some graphics for a presentation on a signaling pathway, and I want to show just the part of each peptide's solvent accessible surface

[PyMOL] Pocketpicker and pymol 1.0

2007-07-16 Thread Andrew D. Fant
Has anyone gotten pocketpicker to work with version 1.0? I installed it and fixed the paths in the modules to reflect the install location (including fixing the number of pathname separators), but when I start it from the plugins menu, it just sits there. It should pop up the control panel, but no

[PyMOL] Coloring structure by hydrophobicity

2006-12-12 Thread Andrew D. Fant
Afternoon all, I apologize if this has been hashed over on the list in the past. I haven't been keeping up like I used to. Is there a good way to calculate and color residues by hydrophobicity in pymol? A google search showed only a very simple script that was based entirely on a single-resi

[PyMOL] Pymol plugins and DRM systems?

2005-12-12 Thread Andrew D. Fant
Has anyone looked into making pymol plugins work with any of the sundry distributed resource management systems (gridengine, lsf, pbs, condor, etc.)? I have a cluster that could make short work of a lot of computations that I want to visualize in pymol, but currently, that would mean installing

[PyMOL] Pharmacophore visualizations

2005-10-14 Thread Andrew D. Fant
Has anyone done anything with with making PyMol able to display pharmacophores as CGOs? Being able to align molecules in pymol with a defined pharmacophore would be nice too, but I realize that doing that would require much more effort from some developer. For the time being, it would be good t