Paketti: apbs-doc (3.4.1-6)

[ Source: 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 documentation.

Muut pakettiin apbs-doc liittyvät paketit

• dep: libjs-jquery (>= 3.6.0)

  JavaScript library for dynamic web applications

• dep: libjs-mathjax

  JavaScript display engine for LaTeX and MathML

• dep: libjs-sphinxdoc (>= 7.4)

  JavaScript support for Sphinx documentation

• dep: sphinx-rtd-theme-common (>= 3.0.1+dfsg)

  sphinx theme from readthedocs.org (common files)

• rec: apbs

  Adaptive Poisson Boltzmann Solver

• sug: python3-apbslib

  Adaptive Poisson Boltzmann Solver

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