[PyMOL] saving files in pymol

Hello, one thing I find a little bit annoying: the "save" command in Pymol will accept any of ., and if the is unknown, it will simple save a pdb file. While some people may find this a useful feature, I think it is quite dangerous. For instance, suppose I'm trying to save "work.pse" and mista

Re: [PyMOL] vacuum electrostatics

Shawn Milano wrote: Hi, I want to show an electrostatic surface of my protein for publication. In Pymol, I believe I can use generate-vacuum electrostatics. However, I am not quite sure what the difference is between absolute and relative protein surface potential. Could you help me with thi

Re: [PyMOL] adjust surface?

(FAX) > > amul...@tulane.edu > >Scott Classen, Ph.D. >ACS Postdoctoral Fellow >Department of Molecular & Cell Biology >University of California, Berkeley >237 Hildebrand Hall #3206 >Berkeley, CA 94720-3206 >LAB 510

Re: [PyMOL] energy minimisation in python

indow. It provides much the same functionality as Pymol (but can already do MD and QC calculations), so there wouldnt be much point in trying to interface with it. I also think it is more oriented towards small molecule computational chemistry. Cheers, Paulo -- Paulo Martel Dept. de Química e Bioquímica