[ ソース: apbs ]
パッケージ: apbs (3.4.1-6)
apbs に関するリンク
Debian の資源:
apbs ソースパッケージをダウンロード:
メンテナ:
外部の資源:
- ホームページ [www.poissonboltzmann.org]
類似のパッケージ:
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.
その他の apbs 関連パッケージ
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- 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)
- Adaptive Poisson Boltzmann Solver
-
- dep: libarpack2t64 (>= 2.1)
- Fortran77 subroutines to solve large scale eigenvalue problems
-
- dep: libblas3
- 基本線形代数のリファレンス実装 - 共有ライブラリ
- または libblas.so.3
- 以下のパッケージによって提供される仮想パッケージです: libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
-
- dep: libc6 (>= 2.34)
- GNU C ライブラリ: 共有ライブラリ
以下のパッケージによって提供される仮想パッケージでもあります: 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)
- 疎行列向けスパースコレスキー分解ライブラリ
-
- 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)
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- dep: libgomp1 (>= 4.2.1)
- GCC OpenMP (GOMP) サポートライブラリ
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- dep: libjs-mathjax
- JavaScript display engine for LaTeX and MathML
-
- dep: libmaloc1 (>= 0.2-1)
- Object-oriented Abstraction Layer for C
-
- dep: libmpich12
- Shared libraries for MPICH
-
- dep: libspqr4 (>= 1:7.8.3+dfsg)
- sparse QR factorization library
-
- dep: libstdc++6 (>= 4.1.1)
- GNU 標準 C++ ライブラリ 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
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- dep: libumfpack6 (>= 1:7.0.1)
- sparse LU factorization library