| Key | Value |
|---|---|
| FileSize | 96940 |
| MD5 | ED00E51F570B467E903028499EC33FF9 |
| 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 | 5F17D66CC5682874E2A482C39FB28279E12AE103 |
| SHA-256 | E7D7A14EAD372F45187D868D90A8211AB50E10E38BAE9F25025E05D6B60FAFB7 |
| 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/share/doc/python3-openbabel/changelog.Debian.gz |
| FileSize | 9949 |
| MD5 | A7639295AFD6F38FB8FEC6D9ECFC7BC4 |
| SHA-1 | AB2B3A437FBD03DB4AA17CFB46B81E727319FF4A |
| SHA-256 | EE7EB97584A4592EDBA7960A44DEC47E997AB2B61F3B25546A7FB24CEF2C9C3D |
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| TLSH | T1EE22D016B166E76A724B484FA0AF0E8CB0D532DFEDC1A2B05833147F74E40FB015D400 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/obgui |
| FileSize | 358608 |
| MD5 | 880D75499318F92A63C4BE933E71FA26 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/copyright |
| FileSize | 17605 |
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| Key | Value |
|---|---|
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| tar:gname | root |
| tar:uname | root |