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[ 源代码: openbabel  ]

软件包: libchemistry-openbabel-perl (2.3.2+dfsg-3build1)

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 the Perl binding.

其他与 libchemistry-openbabel-perl 有关的软件包

  • 依赖
  • 推荐
  • 建议
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    同时作为一个虚包由这些包填实: libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libgcc1 (>= 1:3.0)
    GCC support library
  • dep: libopenbabel4v5
    Chemical toolbox library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: perl (>= 5.26.0-4)
    Larry Wall's Practical Extraction and Report Language
  • dep: perlapi-5.26.0
    本虚包由这些包填实: perl-base

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