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2007.06.07 -- This application has been archived. Local users, see a CSB staff member for help if you need to run this program in the Core.
We have installed Mark Gerstein's programs for calculating surfaces and volumes of macromolecular structural models.
Mark's Userguide is available and contains references, argument options and output descriptions.
The atom and residue definitions and reference volume files are in /srv/local/surfvol/data/
To use the two main programs, the syntax is as follows (executables are in /sgi/local/bin):
calc-surface.exe -i in.pdb > out.pdb
and
calc-volume.exe -i in.pdb [-method N] [-RichardsRadii] > out.pdb
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Center for Structural Biology (www.csb.yale.edu),
Yale University (www.yale.edu)
Contact: webadmin(at)mail^csb^yale^edu Last Modified: Thursday, 07-Jun-2007 11:23:00 EDT by P. Fleming |