Open Babel
Open Babel is software to convert and manipulate chemical data
files. It is an open,
collaborative project allowing anyone to search, convert,
analyze, or store data from molecular modeling, chemistry,
biochemistry, or related areas.
Open Babel is a free, open-source version of the Babel
chemistry file translation program. Open Babel is a project designed to
pick up where Babel left off, as
a cross-platform program and library designed to interconvert between
many file formats used in molecular modeling, computational
chemistry, and many related areas.
The command-line interface is
mostly identical to the old 'babel' executable and recognizes these
file formats among many others: Alchemy, ChemDraw, CML, GAMESS,
Gaussian, HyperChem, MDL Isis and Molfile, MOPAC, MPQC, PDB, SMILES and
XYZ.
Open Babel 2.3.2
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Price
Free to download
Size
19.6MB
License
GNU GPL v2
Developer
Michael Banck, Geoff Hutchison, Chris Morley, Tim
Vandermeersch and many contributors
Website
openbabel.org
System Requirements
Support
Sites:
Guides,
FAQ,
Mailing
Lists, SourceForge
Project
Selected
Reviews:
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Features include:
- Ready-to-use programs for converting files, molecular
searching, chiral detection, and superimposing molecules
- Support for a huge variety of common chemical file formats,
including SDF/MOL, Sybyl mol2, PDB, SMILES, XYZ, CML, ABINIT, XCrySDen
XSF...
- Automatic recognition of file type based on filename
extension
- Batch conversion for multiple molecules in one file (e.g.,
splitting, merging, batch operation)
- Gasteiger-Marsili partial charge calculation
- Support for Molecular Mechanics
- Hydrogen addition and deletion
- Isotope support, calculation of average and exact masses
- Flexible atom typer and perception of multiple bonds from
atomic coordinates
- Automatic feature perception (rings, bonds, hybridization,
aromaticity)
- Read, write and convert over 90 chemical file formats
- Filter and search molecular files using SMARTS and other
methods
- Supports molecular modeling, cheminformatics,
bioinformatics, organic chemistry, inorganic chemistry, solid-state
materials, nuclear chemistry
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Last Updated Saturday, April 13 2013 @ 04:00 PM EDT
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