Cavity volume

Michel PETITJEAN ptitjean at ccr.jussieu.fr
Thu Sep 9 03:39:57 EST 1999


Ref: <7r7psl$jti$1 at netserv.univ-lille1.fr>
"Philippe CHAVATTE" <pchavatt at phare.univ-lille2.fr> wrote:

>I look for a program to evaluate the volume of a cavity in a protein.

Depends on how the cavity is defined. Is the frontier of the cavity
known or not ? Is it a convex cavity ?
If the cavity is defined as the convex hull of a set of points (atoms),
I can email you the RADI software (tell me for which platform), which
computes the volume, surface, and some shape coefficients. Input file
formats are PDB, ML2, HIN and some others.

Michel Petitjean,                     Email: petitjean at itodys.jussieu.fr
ITODYS (CNRS, ESA 7086)                      ptitjean at ccr.jussieu.fr



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