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[ Source: apbs  ]

Package: apbs (3.4.1-5)

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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.

This package contains the apbs program and utilities.

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
alpha (unofficial port) 78.4 kB1,252.0 kB [list of files]
amd64 75.9 kB364.0 kB [list of files]
arm64 74.9 kB1,252.0 kB [list of files]
armel 76.3 kB1,234.0 kB [list of files]
armhf 73.2 kB1,234.0 kB [list of files]
hppa (unofficial port) 79.7 kB304.0 kB [list of files]
i386 75.3 kB358.0 kB [list of files]
ia64 (unofficial port) 89.3 kB394.0 kB [list of files]
m68k (unofficial port) 75.0 kB314.0 kB [list of files]
mips64el 76.6 kB1,253.0 kB [list of files]
mipsel 77.2 kB1,236.0 kB [list of files]
ppc64 (unofficial port) 81.6 kB1,252.0 kB [list of files]
ppc64el 80.4 kB1,252.0 kB [list of files]
riscv64 (unofficial port) 74.1 kB292.0 kB [list of files]
s390x 72.1 kB311.0 kB [list of files]
sh4 (unofficial port) 85.9 kB1,234.0 kB [list of files]
sparc64 (unofficial port) 82.0 kB18,537.0 kB [list of files]
x32 (unofficial port) 75.6 kB342.0 kB [list of files]