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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section10
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610. MSEED:A Fast Program for Calculating Solvent-
Accessible Areas of Molecules
by Georges Perrot, IBM France, 40 Rue Dussoubs, 75002
Paris, France, and Kenneth Gibson, Baker Laboratory of
Chemistry, Cornell University, Ithaca, New York 14853
MSEED is a computer program for the calculation of the
solvent-accessible areas of the atoms (or united atoms)
in a molecule that is modeled as a union of spherical
units. The program also computes the derivatives of
the areas with respect to the Cartesian coordinates of
the centers of the spheres. The program computes only
the exposed area of the molecule using a novel method
for exploring the surface.
MSEED accepts input coordinates in the Protein Data
Bank (PDB) format. Instructions for use are contained
in the COMMENT lines at the start of the program.
NOTE:This system will be distributed in VAX COPY
(ANSI D) format only.
Lines of Code: 1582
FORTRAN 77 (IBM)
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