| Key | Value |
|---|---|
| FileSize | 94276 |
| MD5 | 511F12C6DF441A704B9181E1F0E766A6 |
| 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 | F3AEA92E2A126DF099CC2035E43648BE5F8E9D7C |
| SHA-256 | ED7285B5124211B086E295BA4ABBD6B33A2BB8FC1E9AEB471200BE60B5D44B4F |
| 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 | 399424 |
| MD5 | 2E74DD6C5841E8D36E9BDE43B7077A7F |
| SHA-1 | 48F77AAC185AA5649CCDBEEFEE396C4E7D29767E |
| SHA-256 | 2C34AE87EBD28D43D4902384F7CAA0A5D800B8C49C0C2E888165D45D554167AF |
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| TLSH | T11B84D6A33A4D9ED2CF456D35469FA34036B13D4B0A65C103FA41E33BAE9B3194A17B4B |
| 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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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/copyright |
| FileSize | 17605 |
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| SHA-256 | 8BDFF9720D6BA37E04680A6B1CF167CBBB03E4EA5B349213C7798238ECCAD281 |
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| Key | Value |
|---|---|
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| tar:gname | root |
| tar:uname | root |