套件：apbs（1.4-1 以及其他的）

[ 原始碼： 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.

標籤: 領域: 化學, 實做語言: C, 使用者介面: interface::commandline, role::program, 範圍: 實用程式

其他與 apbs 有關的套件

• dep: libc6 (>= 2.17)

  GNU C 函式庫：共用函式庫
  同時作為一個虛擬套件由這些套件填實： libc6-udeb

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libmaloc1 (>= 0.2-1)

  Object-oriented Abstraction Layer for C

• dep: zlib1g (>= 1:1.1.4)

  壓縮函式庫 - 跑程式時用(runtime)

下載 apbs

下載可用於所有硬體架構的

硬體架構	版本	套件大小	安裝後大小	檔案
arm64	1.4-1+b1	178。6 kB	489。0 kB	[檔案列表]