| Key | Value |
|---|---|
| FileSize | 88076 |
| MD5 | AC2242717AA5D06B5586BD3DCD08E6F6 |
| 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 | 11E368C162AA0EE5B3D1DB70280EA0059263750D |
| SHA-256 | 5ABCF1DB9EE59E0F8EE03E5E6DD05BDAFF7067EDAADDF4CC391751A50DBE3583 |
| 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 | 328816 |
| MD5 | D213CC2FF1B3CF6045ABC88F7C924110 |
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| TLSH | T16564B416FF899C27EDC7AF3946BB4346B4B29CDDA322C5A3215C061D6B873CD4E26244 |
| 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 |
| FileSize | 17605 |
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| Key | Value |
|---|---|
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| tar:gname | root |
| tar:uname | root |