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

[ Zdroj: 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.

Značky: Software Development: Perl Development, Knižnice, Implementované v: implemented-in::c, implemented-in::perl, Role: Vývojová knižnica

Ostatné balíky súvisiace s balíkom libchemistry-openbabel-perl

• dep: libc6 (>= 2.14)

  knižnica GNU C - zdieľané knižnice
  tiež virtuálny balík poskytovaný balíkom libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  podporná knižnica GCC

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  sada chemických nástrojov - knižnica

• dep: libperl5.32 (>= 5.32.0~rc1)

  shared Perl library

• dep: libstdc++6 (>= 5.2)

  štandardná knižnica C++ GNU v3

• dep: perl

  Practical Extraction and Report Language od Larryho Walla

• dep: perlapi-5.32.1

  virtuálny balík poskytovaný balíkom perl-base

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