Package: apbs (1.2.1b-1)

[ Source: apbs  ]

Adaptive Poisson Boltzmann Solver

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.

Tags: Field: Chemistry, Implemented in: C, User Interface: Command Line, Role: Program, Scope: Utility

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Download apbs

Download for all available architectures

Architecture	Package Size	Installed Size	Files
amd64	330.2 kB	900.0 kB	[list of files]
armel	383.8 kB	976.0 kB	[list of files]
i386	281.6 kB	748.0 kB	[list of files]
ia64	578.0 kB	1,696.0 kB	[list of files]
kfreebsd-amd64	329.2 kB	890.0 kB	[list of files]
kfreebsd-i386	281.7 kB	730.0 kB	[list of files]
mips	462.2 kB	1,040.0 kB	[list of files]
mipsel	460.1 kB	1,040.0 kB	[list of files]
powerpc	375.3 kB	800.0 kB	[list of files]
s390	327.1 kB	780.0 kB	[list of files]
sparc	316.9 kB	728.0 kB	[list of files]