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Package: apbs (1.0.0-1)

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 for all available architectures
Architecture Package Size Installed Size Files
alpha 5,015.6 kB6768 kB [list of files]
amd64 4,936.6 kB6864 kB [list of files]
armel 5,046.1 kB6972 kB [list of files]
hppa 4,991.7 kB6776 kB [list of files]
i386 4,865.1 kB6668 kB [list of files]
ia64 5,260.1 kB7708 kB [list of files]
kfreebsd-amd64 (unofficial port) 4,920.4 kB6548 kB [list of files]
kfreebsd-i386 (unofficial port) 4,857.0 kB6340 kB [list of files]
m68k 4,843.9 kB6640 kB [list of files]
mips 5,087.1 kB6944 kB [list of files]
mipsel 5,087.1 kB6944 kB [list of files]
powerpc 4,993.2 kB6512 kB [list of files]
s390 4,926.1 kB6652 kB [list of files]
sparc 4,916.1 kB6676 kB [list of files]