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[ Source: apbs  ]

Package: apbs (1.3.0-2)

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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 for all available architectures
Architecture Package Size Installed Size Files
amd64 331.9 kB903.0 kB [list of files]
armel 387.3 kB970.0 kB [list of files]
armhf 340.8 kB646.0 kB [list of files]
i386 304.8 kB860.0 kB [list of files]
ia64 555.3 kB1,565.0 kB [list of files]
kfreebsd-amd64 331.9 kB871.0 kB [list of files]
kfreebsd-i386 304.6 kB828.0 kB [list of files]
mips 375.5 kB849.0 kB [list of files]
mipsel 378.3 kB849.0 kB [list of files]
powerpc 361.7 kB746.0 kB [list of files]
s390 325.1 kB752.0 kB [list of files]
s390x 360.8 kB875.0 kB [list of files]
sparc 356.6 kB762.0 kB [list of files]