[  etch  ] [  etch-m68k  ] [  lenny  ] [  squeeze  ] [  sid  ]
[ Source: apbs  ]

Package: apbs (1.1.0-1 and others)

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

Other Packages Related to apbs

  • depends
  • recommends
  • suggests
  • dep: hurd [hurd-i386]
    The GNU Hurd
    also a virtual package provided by hurd-udeb
  • dep: libblas3gf
    Basic Linear Algebra Subroutines 3, shared library
    or libblas.so.3gf
    virtual package provided by libatlas3gf-2.0, libatlas3gf-3dnow, libatlas3gf-altivec, libatlas3gf-base, libatlas3gf-sse, libatlas3gf-sse2, libatlas3gf-v9, libblas3gf
    or libatlas3gf-base
    Automatically Tuned Linear Algebra Software,generic shared
  • dep: libc0.1 (>= 2.3) [kfreebsd-amd64, kfreebsd-i386]
    GNU C Library: Shared libraries
    also a virtual package provided by libc0.1-udeb
  • dep: libc0.3 (>= 2.9) [hurd-i386]
    GNU C Library: Shared libraries
    also a virtual package provided by libc0.3-udeb
  • dep: libc6 (>= 2.2.5) [amd64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.3.5) [powerpc]
    dep: libc6 (>= 2.3.6-6~) [i386]
    dep: libc6 (>= 2.4) [armel, mips, mipsel, s390]
    dep: libc6 (>= 2.5) [avr32, hppa]
    dep: libc6 (>= 2.5-5) [m68k]
    dep: libc6 (>= 2.6) [sparc]
  • dep: libc6.1 (>= 2.2) [ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6.1-udeb
    dep: libc6.1 (>= 2.4) [alpha]
  • dep: libgcc1 (>= 1:4.1.1) [not armel, avr32, hppa, hurd-i386, kfreebsd-amd64, kfreebsd-i386, m68k]
    GCC support library
    dep: libgcc1 (>= 1:4.2.1) [avr32]
    dep: libgcc1 (>= 1:4.4) [kfreebsd-amd64, kfreebsd-i386]
    dep: libgcc1 (>= 1:4.4.0) [armel]
    dep: libgcc1 (>= 4.2.1) [hurd-i386]
  • dep: libgcc2 (>= 4.2.1) [m68k]
    Package not available
  • dep: libgcc4 (>= 4.1.1) [hppa]
    GCC support library
  • dep: libgfortran2 (>= 4.2.1) [avr32]
    Runtime library for GNU Fortran applications
  • dep: libgfortran3 (>= 4.3) [not avr32, hppa, kfreebsd-amd64, kfreebsd-i386]
    Runtime library for GNU Fortran applications
    dep: libgfortran3 (>= 4.4) [hppa, kfreebsd-amd64, kfreebsd-i386]
  • dep: libmaloc1 (>= 0.2-1)
    Object-oriented Abstraction Layer for C
  • dep: libunwind7 (>= 0.98.5-6) [ia64]
    A library to determine the call-chain of a program - runtime

Download apbs

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha 1.1.0-1 510.2 kB1088 kB [list of files]
amd64 1.1.0-1 422.7 kB1164 kB [list of files]
armel 1.1.0-1+b1 552.4 kB1268 kB [list of files]
avr32 (unofficial port) 1.1.0-1 472.6 kB952 kB [list of files]
hppa 1.1.0-1 485.8 kB1076 kB [list of files]
hurd-i386 1.0.0-2 4,864.7 kB6660 kB [list of files]
i386 1.1.0-1 367.6 kB968 kB [list of files]
ia64 1.1.0-1+b1 765.5 kB2008 kB [list of files]
kfreebsd-amd64 1.1.0-1 422.1 kB1158 kB [list of files]
kfreebsd-i386 1.1.0-1 367.7 kB950 kB [list of files]
m68k (unofficial port) 1.0.0-2 4,844.1 kB6640 kB [list of files]
mips 1.1.0-1 591.0 kB1260 kB [list of files]
mipsel 1.1.0-1 591.0 kB1260 kB [list of files]
powerpc 1.1.0-1 496.9 kB1012 kB [list of files]
s390 1.1.0-1 428.4 kB952 kB [list of files]
sparc 1.1.0-1 418.5 kB976 kB [list of files]