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[ Fonte: openbabel  ]

Pacote: libopenbabel-dev (3.1.1+dfsg-14)

Links para libopenbabel-dev

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Baixe o pacote-fonte openbabel:

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Chemical toolbox library (development files)

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 static library and the header files.

Etiquetas: Desenvolvimento de software: Desenvolvimento C ++, Bibliotecas, Campo: Química, Implementado em: implemented-in::c++, role::devel-lib, Função: Programa, Propósito: Conversão de dados

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Download de libopenbabel-dev

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amd64 175.9 kB954.0 kB [lista de arquivos]
arm64 175.8 kB954.0 kB [lista de arquivos]
armhf 175.9 kB954.0 kB [lista de arquivos]
i386 175.8 kB954.0 kB [lista de arquivos]
ppc64el 175.8 kB954.0 kB [lista de arquivos]
riscv64 175.8 kB954.0 kB [lista de arquivos]
s390x 175.8 kB954.0 kB [lista de arquivos]