| Key | Value |
|---|---|
| FileSize | 242684 |
| MD5 | 13DB808FC815FB819DA7BB8E5A405B38 |
| PackageDescription | Chemical toolbox utilities (graphical user interface) 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 openbabel GUI based on wxWidgets. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | openbabel-gui |
| PackageSection | science |
| PackageVersion | 2.3.2+dfsg-3 |
| SHA-1 | 2196407B1135BE8E58566CDD96C28A1F79086B7E |
| SHA-256 | F46D5EC46C36578AD9E99DCE09D73B6C846DE1397557AFC8C6FC17430D34569D |
| hashlookup:children-total | 5 |
| hashlookup:trust | 50 |
The searched file hash includes 5 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/changelog.gz |
| FileSize | 148926 |
| MD5 | 1E9E42753C21BB59FB3A20AC6B235202 |
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| TLSH | T154E3121991F1227091A7A5BDE3C7A98E4E8D550E3A38CE0FBF8D515B0365BE484C33E5 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/changelog.Debian.gz |
| FileSize | 7132 |
| MD5 | B53AD774A6BA9752D941747EF3BE6B3A |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/copyright |
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| Key | Value |
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