Paket: apbs (3.0.0+dfsg1-3build2)

Länkar för apbs

Trisquelresurser:

Hämta källkodspaketet apbs:

Ansvarig:

Debichem Team (E-postarkiv)

Original Maintainers:

Debichem Team (E-postarkiv)
Michael Banck

Externa resurser:

Hemsida [www.poissonboltzmann.org]

Liknande paket:

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.

Andra paket besläktade med apbs

beror

rekommenderar

föreslår

dep: apbs-data (= 3.0.0+dfsg1-3build2)

data files for APBS (Adaptive Poisson Boltzmann Solver)
dep: libapbs3 (= 3.0.0+dfsg1-3build2)

Adaptive Poisson Boltzmann Solver
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av libc6-udeb
dep: libgomp1 (>= 4.2.1)

GCC OpenMP (GOMP) support library
dep: libmaloc1 (>= 0.2-1)

Object-oriented Abstraction Layer for C
dep: libopenmpi3 (>= 4.1.2)

high performance message passing library -- shared library
dep: libstdc++6 (>= 4.1.1)

GNU Standard C++ Library v3

Hämta apbs

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	81,9 kbyte	434 kbyte	[filförteckning]
arm64	78,2 kbyte	362 kbyte	[filförteckning]
armhf	77,3 kbyte	300 kbyte	[filförteckning]
ppc64el	87,1 kbyte	1302 kbyte	[filförteckning]

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