| Key | Value |
|---|---|
| FileSize | 87320 |
| MD5 | 7ABA6594B1F5D2AEA6D1B474F2E4042D |
| 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 | 3.1.1+dfsg-6 |
| SHA-1 | 6A65CD0C3D97A97D856230D3F70BDA1024F76209 |
| SHA-256 | DB202CD99FD4D054DF54EB940776A52626BE5C3B039E2AD0DE50FA62C212006D |
| hashlookup:children-total | 4 |
| hashlookup:trust | 50 |
The searched file hash includes 4 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileName | ./usr/bin/obgui |
| FileSize | 344568 |
| MD5 | 02E02535AE8A711516F834687DDE55A4 |
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| TLSH | T1F374D832FF895D17DDEECF36083BC26A05AC1CCFA651C0577A5C274D6A6758E0A82E81 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/changelog.Debian.gz |
| FileSize | 9949 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/copyright |
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| Key | Value |
|---|---|
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| tar:gname | root |
| tar:uname | root |