alle opties
buster  ] [  bullseye  ] [  bookworm  ] [  trixie  ] [  sid  ]
[ Bron: openbabel  ]

Pakket: libchemistry-openbabel-perl (3.1.1+dfsg-11 en anderen)

Verwijzigingen voor libchemistry-openbabel-perl

Screenshot

Debian bronnen:

Het bronpakket openbabel downloaden:

Beheerders:

Externe bronnen:

Vergelijkbare pakketten:

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

  • depends
  • recommends
  • suggests
  • enhances

libchemistry-openbabel-perl downloaden

Pakket downloaden voor alle beschikbare platforms
Platform Versie Pakketgrootte Geïnstalleerde grootte Bestanden
amd64 3.1.1+dfsg-11+b1 658,2 kB4.030,0 kB [overzicht]