SURFace VOLumes

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