| Key | Value |
|---|---|
| FileSize | 232504 |
| MD5 | C0D987AF173B870E606E30FA9FA8DD74 |
| 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-2 |
| SHA-1 | 187D0025FB374AC76215A19A569746BB201BEECC |
| SHA-256 | C7575915CB364C9D58F0E90DFA12CB740F056BAFFA747DDAAF96F9F9747C9BC0 |
| 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 |
| SHA-1 | BDFDEA1C5C00D29B933251323265591FA4484BE8 |
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| TLSH | T154E3121991F1227091A7A5BDE3C7A98E4E8D550E3A38CE0FBF8D515B0365BE484C33E5 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/changelog.Debian.gz |
| FileSize | 6758 |
| MD5 | E25CC0EFD00952BF22494C3A86DBE04A |
| SHA-1 | 788F918803A5A6A4B18E8B3CE449A4932B2D0F2F |
| SHA-256 | 1A3AE680F16E58A209339FF4508C6B096386EBF92702933489C13DFBFB934B72 |
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| TLSH | T1ECD17CE3E00696EBFAA31CE132C140986452231B915BAA6382DFF4CED955DFDA236181 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/obgui |
| FileSize | 222112 |
| MD5 | 7E35533D568D638F5AFA66F9C3656FE6 |
| SHA-1 | 1B99346B8FF6ED708B873B9B0B3B34A6129CC4B8 |
| SHA-256 | 818D648833D64102A762B02303A2E3A1892A9154412029AF61013D5F606C448E |
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| TLSH | T117244B83ED834E1AC8E34F7412AF074D79761CE6C3B6E692A8041B1A9B959DF4D33742 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/copyright |
| FileSize | 12210 |
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| Key | Value |
|---|---|
| CRC32 | 8474AFC4 |
| FileName | ./usr/share/man/man1/obgui.1.gz |
| FileSize | 451 |
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| db | nsrl_modern_rds |
| insert-timestamp | 1646993731.982095 |
| source | NSRL |