Paket: apbs (3.0.0+dfsg1-3 ve diğerleri)

[ Kaynak: apbs  ]

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.

Etiketler: Alan: Kimya, Geliştirildiği dil: C, Kullanıcı Arayüzü: interface::commandline, role::program, Kapsam: Yardımcı Araç

apbs ile İlgili Diğer Paketler

• dep: apbs-data (= 3.0.0+dfsg1-3)

  data files for APBS (Adaptive Poisson Boltzmann Solver)

• dep: libapbs3 (= 3.0.0+dfsg1-3+b1)

  Adaptive Poisson Boltzmann Solver

• dep: libc6 (>= 2.29)

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket 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 (>= 4.0.5)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 4.1.1)

  GNU Standard C++ Library v3

apbs indir

Tüm mevcut mimariler için indir

Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
i386	3.0.0+dfsg1-3+b1	83,7 kB	423,0 kB	[dosya listesi]