Paket: apbs (3.0.0+dfsg1-3 und andere)

[ Quellcode: 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.

Markierungen: Feld: Chemie, Implementiert in: C, Benutzer-Schnittstellen: interface::commandline, role::program, Zweck: Hilfswerkzeug

Andere Pakete mit Bezug zu apbs

• 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-Bibliothek: Laufzeitbibliotheken
  auch ein virtuelles Paket, bereitgestellt durch libc6-udeb

• dep: libgomp1 (>= 4.2.1)

  Unterstützungsbibliothek für GCC OpenMP (GOMP)

• dep: libmaloc1 (>= 0.2-1)

  Object-oriented Abstraction Layer for C

• dep: libopenmpi3 (>= 4.0.5)

  Leistungsstarke Message-Passing-Bibliothek - Laufzeitbibliotheken

• dep: libstdc++6 (>= 4.1.1)

  GNU-Implementierung der Standard-C++-Bibliothek (Version 3)

apbs herunterladen

Download für alle verfügbaren Architekturen

Architektur	Version	Paketgröße	Größe (installiert)	Dateien
armel	3.0.0+dfsg1-3+b1	81,8 kB	375,0 kB	[Liste der Dateien]