| Key | Value |
|---|---|
| FileSize | 86400 |
| MD5 | 9CA7742BBAFA295C1C2C1FCC4F2655F1 |
| 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 | 2.4.1+dfsg-3 |
| SHA-1 | 22A819E915A5CF6DB792370241DB9F344CEE5280 |
| SHA-256 | 7DCEC3DCD0902370A2B479122B96C40DDFFF76FBB4AD7CBFF09465D656334E11 |
| 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 | 196588 |
| MD5 | 4451AF077FEF5BA8437BD9504CDABDA1 |
| SHA-1 | 7004A438C6AE280CE71534715B8F6C4AEBB8E6F5 |
| SHA-256 | E39BF003680114472830E45411D9E963D35DF000C2494F786579BE0D88F1432E |
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| TLSH | T1A9145B63BED34C26CDCB5F3664E79E425CB80CC6A756C1A389444A2ADF9789C231E7C1 |
| Key | Value |
|---|---|
| CRC32 | 8474AFC4 |
| FileName | ./usr/share/man/man1/obgui.1.gz |
| FileSize | 451 |
| MD5 | 5B0B9E592F248A3A1F2997FAECCC0786 |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| SHA-1 | 2956DDE3D9F93365422C4990EFDD9D20CFE2EC9C |
| SHA-256 | 7A2771FA126F99543D1DAE3D25D4B3DF490670BED0F2B5056DB4DE594FC6151A |
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| SpecialCode | |
| TLSH | T143F0230C057511A0F5CA90F6FE42170BB997AACEFE2A7CD244BD27368C3C235E671418 |
| db | nsrl_modern_rds |
| insert-timestamp | 1646993731.982095 |
| source | NSRL |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/changelog.Debian.gz |
| FileSize | 8471 |
| MD5 | 9B9E7D485642B3B26AB093421C6ECE7D |
| SHA-1 | C6014D8336C16E3963E501B20165FF39E043E86E |
| SHA-256 | F77DF2902CC8322507D9E8A1B4BF33A6537FB2EA37BA9A41E8CA9ACCC247C036 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/copyright |
| FileSize | 29241 |
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