Pakket: libchemistry-openbabel-perl (3.1.1+dfsg-6)

[ Bron: openbabel  ]

Chemical toolbox library (perl bindings)

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

 * Hydrogen addition and deletion
 * Support for Molecular Mechanics
 * Support for SMARTS molecular matching syntax
 * Automatic feature perception (rings, bonds, hybridization, aromaticity)
 * Flexible atom typer and perception of multiple bonds from atomic coordinates
 * Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains Chemistry::Openbabel, the Perl binding for Open Babel.

Tags: Softwareontwikkeling: Ontwikkelen in Perl, Bibliotheken, Implemented in: implemented-in::c, implemented-in::perl, Role: Development Library

Andere aan libchemistry-openbabel-perl gerelateerde pakketten

• dep: libc6 (>= 2.14)

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC support bibliotheek

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libperl5.32 (>= 5.32.0~rc1)

  shared Perl library

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: perl

  Larry Wall's Practical Extraction and Report Language

• dep: perlapi-5.32.1

  virtueel pakket geboden door perl-base

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Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
amd64	668,7 kB	4.068,0 kB	[overzicht]