VMD-L Mailing List

From: Andrew Dalke (dalke_at_mag.com)
Date: Wed Jan 14 1998 - 22:17:10 CST

Hello,

  I've been looking for a program or library that calculates and
returns values for the surface area and volume of residues in a
molecule. I would like to include it as part of the next release of
VMD, so there will be features like "color by surface area" or "select
buried residues".

  To be part of VMD the code would have to be freely redistributable
with a license at least as lenient as VMD's. Most of the programs
I've seen have been in FORTRAN or with license requirements I didn't
want to have to deal with (eg, have to fill out a license or cannot be
used by commercial sites).

  But there are a lot of programs available (surface and volume
calculations seem to be a popular topic :) so I figured someone here
could point me to one we can use.

                                                Andrew Dalke
                                                dalke_at_mag.com 

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