libchemistry-openbabel-perl 2.3.0+dfsg-3ubuntu1 (amd64 binary) in ubuntu precise
Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It allows 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.
Details
- Package version:
- 2.3.0+dfsg-3ubuntu1
- Status:
- Superseded
- Component:
- universe
- Priority:
- Optional
Downloadable files
Package relationships
- Depends on: