Package: apbs (1.3.0-2)

[ 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: interface::commandline, role::program, Scope: Utility

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Download apbs

Download for all available architectures

Architecture	Package Size	Installed Size	Files
amd64	331.9 kB	903.0 kB	[list of files]
armel	387.3 kB	970.0 kB	[list of files]
armhf	340.8 kB	646.0 kB	[list of files]
i386	304.8 kB	860.0 kB	[list of files]
ia64	555.3 kB	1,565.0 kB	[list of files]
kfreebsd-amd64	331.9 kB	871.0 kB	[list of files]
kfreebsd-i386	304.6 kB	828.0 kB	[list of files]
mips	375.5 kB	849.0 kB	[list of files]
mipsel	378.3 kB	849.0 kB	[list of files]
powerpc	361.7 kB	746.0 kB	[list of files]
s390	325.1 kB	752.0 kB	[list of files]
s390x	360.8 kB	875.0 kB	[list of files]
sparc	356.6 kB	762.0 kB	[list of files]