Paket: libchemistry-openbabel-perl (3.1.1+dfsg-11 und andere)

[ Quellcode: 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.

Markierungen: Software-Entwicklung: Perl-Entwicklung, Bibliotheken, Implementiert in: implemented-in::c, implemented-in::perl, Rolle: Entwicklungs-Bibliothek

Andere Pakete mit Bezug zu libchemistry-openbabel-perl

• dep: libc6 (>= 2.38)

  GNU-C-Bibliothek: Laufzeitbibliotheken
  auch ein virtuelles Paket, bereitgestellt durch libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC Support-Bibliothek

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libperl5.40 (>= 5.40.0)

  shared Perl library

• dep: libstdc++6 (>= 13.1)

  GNU-Implementierung der Standard-C++-Bibliothek (Version 3)

• dep: perl (>= 5.40.0-6)

  Larry Wall's Practical Extraction und Report Language

• dep: perlapi-5.40.0

  virtuelles Paket, bereitgestellt durch perl-base

libchemistry-openbabel-perl herunterladen

Download für alle verfügbaren Architekturen

Architektur	Version	Paketgröße	Größe (installiert)	Dateien
amd64	3.1.1+dfsg-11+b1	658,2 kB	4.030,0 kB	[Liste der Dateien]