Paquet : apbs (3.4.1-6 et autres)

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Ressources externes :

Page d'accueil [www.poissonboltzmann.org]

Paquets similaires :

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.

Autres paquets associés à apbs

dépendances

recommandations

suggestions

enhances

dep: apbs-data (= 3.4.1-6)

data files for APBS (Adaptive Poisson Boltzmann Solver)
dep: libamd3 (>= 1:7.0.1)

approximate minimum degree ordering library for sparse matrices
dep: libapbs3t64 (= 3.4.1-6+b3)

Adaptive Poisson Boltzmann Solver
dep: libarpack2t64 (>= 2.1)

Fortran77 subroutines to solve large scale eigenvalue problems
dep: libblas3

Basic Linear Algebra Reference implementations, shared library

ou libblas.so.3

paquet virtuel fourni par libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
un paquet virtuel est également fourni par libc6-udeb
dep: libcamd3 (>= 1:7.0.1)

symmetric approximate minimum degree library for sparse matrices
dep: libccolamd3 (>= 1:7.0.1)

constrained column approximate library for sparse matrices
dep: libcholmod5 (>= 1:7.3.1)

sparse Cholesky factorization library for sparse matrices
dep: libcolamd3 (>= 1:7.0.1)

column approximate minimum degree ordering library for sparse matrices
dep: libfetk1.9t64 (>= 3.4.1)

FETK libraries for APBS (shared libraries)
dep: libgomp1 (>= 4.2.1)

GCC OpenMP (GOMP) support library
dep: libjs-mathjax

JavaScript display engine for LaTeX and MathML
dep: libmaloc1 (>= 0.2-1)

Object-oriented Abstraction Layer for C
dep: libopenmpi40 (>= 5.0.6)

high performance message passing library -- shared library
dep: libspqr4 (>= 1:7.8.3+dfsg)

sparse QR factorization library
dep: libstdc++6 (>= 4.1.1)

GNU Standard C++ Library v3
dep: libsuitesparseconfig7 (>= 1:7.0.1)

configuration routines for all SuiteSparse modules
dep: libsuperlu7 (>= 7.0.0+dfsg1)

Direct solution of large, sparse systems of linear equations
dep: libumfpack6 (>= 1:7.0.1)

sparse LU factorization library

Télécharger apbs

Télécharger pour toutes les architectures proposées
Architecture	Version	Taille du paquet	Espace occupé une fois installé	Fichiers
amd64	3.4.1-6+b3	77,4 ko	373,0 ko	[liste des fichiers]
arm64	3.4.1-6+b3	75,4 ko	1 253,0 ko	[liste des fichiers]