Hi Mirek, On Mon, 10 Aug 2009 11:21:39 -0700 Warren DeLano <war...@delsci.com> wrote:
> PyMOL isn't the optimal tool for measuring surface area -- perhaps > others on the list can suggest good alternatives. I like MSMS for this. I have a script that will calculate the area (both solvent exposed and solvent accessible) for a particular selection. See my msms_pymol.py script at: http://pldserver1.biochem.queensu.ca/~rlc/work/pymol After loading the script with the "run" command, you can type "help calc_msms_area" to get more information on the options. Cheers, Rob -- Robert L. Campbell, Ph.D. Senior Research Associate/Adjunct Assistant Professor Botterell Hall Rm 644 Department of Biochemistry, Queen's University, Kingston, ON K7L 3N6 Canada Tel: 613-533-6821 Fax: 613-533-2497 <robert.campb...@queensu.ca> http://pldserver1.biochem.queensu.ca/~rlc ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
