apbs-0.3.1-1 RPM for i686

From SourceForge / a / ap / apbs

APBS is a software package for the numerical solution of the Poisson-Boltzmann
equation (PBE), one of the most popular continuum models for describing
electrostatic interactions between molecular solutes in salty, aqueous media.
Continuum electrostatics plays an important role in several areas of
biomolecular simulation, including:

    * simulation of diffusional processes to determine ligand-protein and
        protein-protein binding kinetics,
    * implicit solvent molecular dynamics of biomolecules ,
    * solvation and binding energy calculations to determine ligand-protein
        and protein-protein equilibrium binding constants and aid in rational
        drug design,
    * and biomolecular titration studies.

APBS was designed to efficiently evaluate electrostatic properties for such
simulations for a wide range of length scales to enable the investigation of
molecules with tens to millions of atoms.

This software was primarily by written Nathan Baker during his graduate work
with J. Andrew McCammon and Michael Holst and enhanced by contributions from
several other authors.

Provides

• apbs

Requires

• /bin/bash
• /bin/sh
• /bin/sh
• libc.so.6
• libm.so.6
• libncurses.so.5
• libpthread.so.0
• libreadline.so.4
• maloc

Copyright

GPL

Signatures

internal MD5: f897caed6f03d3a6fe78729f30466133

Files

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Daniel Veillard, Mon Jul 7 02:30:15 2008