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apbs

Adaptive Poisson Boltzmann Solver

Variants:
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.

Homepage:
Package version:1.2.1b-1
Architecture:i386
Distribution:Debian
Filename:apbs_1.2.1b-1_i386.deb

/usr/share/doc/apbs/README

Please see doc/index.html for the documentation index and doc/LICENSE.txt or
COPYING for license information. 

/usr/share/doc/apbs/NEWS.gz

Please see the ChangeLog for the most recent news.

/usr/share/man/man1/apbs.1.gz

APBS(1)                     User Commands                    APBS(1)



NAME
       abps - Adaptive Poisson Boltzmann Solver

SYNOPSIS
       apbs [options] parameters-file

DESCRIPTION
       The  apbs  command calculates electrostatic potentials, ener‐
       gies, and forces using  both  multigrid  and  finite  element
       methods.

OPTIONS
       At the moment, the following options are s
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/usr/share/doc/apbs/changelog.Debian.gz

apbs (1.2.1b-1) unstable; urgency=low

  * New upstream (bugfix) release.

  * debian/control (Stand
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/usr/share/doc/apbs/changelog.gz

Please see http://www.poissonboltzmann.org/apbs/release-history for the
complete change log

# These
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/usr/share/doc/apbs/AUTHORS

Authors are listed in the documentation

/usr/share/doc/apbs/copyright

This package was debianized by Michael Banck <mbanck@debian.org> on
Thu, 29 Jun 2006 17:10:18 +0200.
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