Re: [PyMOL] interior protein-surfaces

2008-05-29 Thread DeLano Scientific
One pure PyMOL-based approach is to use the surface_carve settings as follows: load $TUT/1hpv.pdb, tmp extract lig, organic extract prot, polymer delete tmp set surface_carve_cutoff, 4.5 set surface_carve_selection, lig set surface_carve_normal_cutoff, -0.1 show surface, prot within 8 of lig set

Re: [PyMOL] problem picking atoms

2008-05-29 Thread David Goldenberg
Warren, Thanks very much for your suggestions. Turning on Millions of Colors seems to have solved the problem. David DeLano Scientific wrote: David, Are the misclicks plausible or absurd? For example, if you click on the left side of the screen are unrelated atoms being selected on the

Re: [PyMOL] problem picking atoms

2008-05-29 Thread DeLano Scientific
David, Are the misclicks plausible or absurd? For example, if you click on the left side of the screen are unrelated atoms being selected on the right side? If so, then the problem can probably be corrected by running under Millions of Colors instead of Thousands (see Display under System Prefer

[PyMOL] problem picking atoms

2008-05-29 Thread David Goldenberg
Hi, I am using MacPyMol under OS X 10.4 on a G5 PowerMac, and I frequently have problems select atoms by clicking on them. Very often, no matter how carefully I aim with the mouse, the atoms selected are far from the ones I wanted. It seems that this should be simple! Is there something

Re: [PyMOL] interior protein-surfaces

2008-05-29 Thread Michael Lerner
I'm not sure it's exactly what you're looking for, but this seems similar: http://hollow.sourceforge.net/ On Tue, May 27, 2008 at 4:53 PM, Thomas S. Leyh, Ph. D. wrote: > From time to time I find it valuable to view the suface of a > ligand-binding pocket looking out from the surface's in

Re: [PyMOL] interior protein-surfaces

2008-05-29 Thread Xavier
Hi Tom, I'm not sure this (http://lmc.uab.cat/~xavi/) is what you're looking for. If it is, you can build the surface in the CASTp server (or using the PyMOL plugin) and then display the surface of the pocket (the .poc object) of the residues forming the binding pocket (e.g. 5 Ang. around