libchemistry-openbabel-perl binary package in Ubuntu Kinetic s390x
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:
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* 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
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File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
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This package contains Chemistry:
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2022-04-26 10:05:31 UTC | Published | Ubuntu Kinetic s390x | release | universe | perl | Optional | 3.1.1+dfsg-6ubuntu5 | ||
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