Paket: libopenbabel7 (3.1.1+dfsg-6)

[ Quellcode: openbabel  ]

Chemical toolbox library

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 the shared library.

Markierungen: Rolle: Laufzeit-Bibliothek

Andere Pakete mit Bezug zu libopenbabel7

• dep: libc6 (>= 2.29)

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

• dep: libcairo2 (>= 1.2.4)

  2D-Vektorgrafikbibliothek Cairo

• dep: libgcc-s1 (>= 3.4)

  GCC Support-Bibliothek

• dep: libgomp1 (>= 4.9)

  Unterstützungsbibliothek für GCC OpenMP (GOMP)

• dep: libinchi1 (>= 1.03+dfsg)

  International Chemical Identifier (InChI) algorithm (library)

• dep: libmaeparser1 (>= 1.2.4)

  parser for Schrödinger Maestro files

• dep: libstdc++6 (>= 9)

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

• dep: libxml2 (>= 2.7.4)

  GNOME-XML-Bibliothek

• dep: zlib1g (>= 1:1.1.4)

  Kompressions-Bibliothek - Laufzeit

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