Paket: apbs (3.4.1-5)

apbs için bağlantılar

Debian Kaynakları:

apbs Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [www.poissonboltzmann.org]

Benzer paketler:

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

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: apbs-data (= 3.4.1-5)

data files for APBS (Adaptive Poisson Boltzmann Solver)
dep: libamd2 (>= 1:4.5.2)

approximate minimum degree ordering library for sparse matrices
dep: libapbs3 (= 3.4.1-5)

Adaptive Poisson Boltzmann Solver
dep: libarpack2 (>= 2.1)

Fortran77 subroutines to solve large scale eigenvalue problems
dep: libblas3

Basic Linear Algebra Reference implementations, shared library

ya da libblas.so.3

sanal paketi sağlayan libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
dep: libcamd2 (>= 1:4.5.2)

symmetric approximate minimum degree library for sparse matrices
dep: libccolamd2 (>= 1:4.5.2)

constrained column approximate library for sparse matrices
dep: libcholmod3 (>= 1:4.5.2)

sparse Cholesky factorization library for sparse matrices
dep: libcolamd2 (>= 1:4.5.2)

column approximate minimum degree ordering library for sparse matrices
dep: libfetk1.9 (>= 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: libopenmpi3 (>= 4.1.4)

high performance message passing library -- shared library
dep: libspqr2 (>= 1:5.12.0+dfsg)

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

GNU Standard C++ Library v3
dep: libsuitesparseconfig5 (>= 1:5.0.0)

configuration routines for all SuiteSparse modules
dep: libsuperlu5 (>= 5.3.0+dfsg1)

Direct solution of large, sparse systems of linear equations
dep: libumfpack5 (>= 1:4.5.2)

sparse LU factorization library

apbs indir

Tüm mevcut mimariler için indir
Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	75,9 kB	364,0 kB	[dosya listesi]
arm64	74,9 kB	1.252,0 kB	[dosya listesi]
armel	76,3 kB	1.234,0 kB	[dosya listesi]
armhf	73,2 kB	1.234,0 kB	[dosya listesi]
i386	75,3 kB	358,0 kB	[dosya listesi]
mips64el	76,6 kB	1.253,0 kB	[dosya listesi]
mipsel	77,2 kB	1.236,0 kB	[dosya listesi]
ppc64el	80,4 kB	1.252,0 kB	[dosya listesi]
s390x	72,1 kB	311,0 kB	[dosya listesi]