| Key | Value |
|---|---|
| FileSize | 88548 |
| MD5 | 677EB1996FDD7DAA4372CEB5BC083552 |
| 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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | openbabel-gui |
| PackageSection | science |
| PackageVersion | 3.1.1+dfsg-3ubuntu1 |
| SHA-1 | B5BEB746C126F5C644EA56E6B69DA001735FA523 |
| SHA-256 | 91EAD29EA3C6E045BEF7C7E4E7A8534EBE99D30C68EDE2BDD94E7E0B85C3E00F |
| hashlookup:children-total | 3 |
| hashlookup:trust | 50 |
The searched file hash includes 3 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/copyright |
| FileSize | 17605 |
| MD5 | E40C7BBBEA95FC04DCC5DC820A090978 |
| SHA-1 | 5BDAB0FB41D3854128475F76D935FEB081A9E0EB |
| SHA-256 | 8BDFF9720D6BA37E04680A6B1CF167CBBB03E4EA5B349213C7798238ECCAD281 |
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| TLSH | T1A682C60A2E4087BB3FD023D5394994DEE316739B322A5881704DD28A5F1B67A27F35E8 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/obgui |
| FileSize | 376776 |
| MD5 | CE44E286D3D18AE3340E4B3E373869DE |
| SHA-1 | 1A4DE8DFE074EE9891D61B93AF343B2B1C15642E |
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| TLSH | T1C784D71BFF418C3CC8D89A744AFB43116930F8DD9331A25F2A8C5B6A1E9376C5A39791 |
| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/obgui.1.gz |
| FileSize | 454 |
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| SHA-1 | 8071DB6BAAECA5F47A2E7CB252280E51C7BCA84C |
| SHA-256 | F2771559150DD63B02A88071DA4841DAE51839FC89CA4C8D1F2AB39D0EB111AF |
| SSDEEP | 12:XRwm+vqLOsO+/8l/WATvzxr7c01NiyezA/:Xam+v9sOzl/WIrg0ayezA/ |
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| tar:gname | root |
| tar:uname | root |