| Key | Value |
|---|---|
| FileSize | 99488 |
| MD5 | 6869DBB23545F11D39D9F7B3B6EDC6C7 |
| 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 | 6767A8809DB036B91EE70F28C1EE162A25E0FEB5 |
| SHA-256 | 4EB97C2383BF2878D6B7F494CF30695B5BC3704E72901B5D8F4387F6A7E10039 |
| 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 | 282144 |
| MD5 | 791265DEDB60D24516C102C7EDAF9330 |
| SHA-1 | 89194993119E3155BD1C80520202935A754B7994 |
| SHA-256 | 2AA80203E6C87B16FDCAC2B36B10C99F88048A19C10DE016D690C99BF7216E60 |
| SSDEEP | 6144:pIepgnRoGjL1g/veNNlKnZQFZhXb/SH941axIDr5nDAxdFHRf6AARTJfmtTaauKz:jZGjLW/veXlWGDrl2Xf6AARTJfm7H |
| TLSH | T19A541B277B82EC31D1E346B00157D7A298642E32C3A7C0D3B5C16B7DB8B56D99A227D3 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/changelog.Debian.gz |
| FileSize | 9949 |
| MD5 | A7639295AFD6F38FB8FEC6D9ECFC7BC4 |
| SHA-1 | AB2B3A437FBD03DB4AA17CFB46B81E727319FF4A |
| SHA-256 | EE7EB97584A4592EDBA7960A44DEC47E997AB2B61F3B25546A7FB24CEF2C9C3D |
| SSDEEP | 192:DUbIXQJZ1ToEUxC6tMH0MxYF902/HT0XhKYUfd/bk+a65Zy8L4zInmRjBDtLVvAE:DkIXurvZkl9P0KHh9fdzDamsMTmRjBD/ |
| TLSH | T1EE22D016B166E76A724B484FA0AF0E8CB0D532DFEDC1A2B05833147F74E40FB015D400 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/copyright |
| FileSize | 17605 |
| MD5 | E40C7BBBEA95FC04DCC5DC820A090978 |
| SHA-1 | 5BDAB0FB41D3854128475F76D935FEB081A9E0EB |
| SHA-256 | 8BDFF9720D6BA37E04680A6B1CF167CBBB03E4EA5B349213C7798238ECCAD281 |
| SSDEEP | 384:qMfbBd+hIGop3dbP9xb9Hb3HlMNoMN4tSQuMSthkZrs0rsxt5bRrSHtVZHU:q+bBd+hIGopxZHb3HlMNoMN4tSQuMStl |
| TLSH | T1A682C60A2E4087BB3FD023D5394994DEE316739B322A5881704DD28A5F1B67A27F35E8 |
| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/obgui.1.gz |
| FileSize | 454 |
| MD5 | 51176D10DCB2B7516CC0B421FC6B82DF |
| SHA-1 | 8071DB6BAAECA5F47A2E7CB252280E51C7BCA84C |
| SHA-256 | F2771559150DD63B02A88071DA4841DAE51839FC89CA4C8D1F2AB39D0EB111AF |
| SSDEEP | 12:XRwm+vqLOsO+/8l/WATvzxr7c01NiyezA/:Xam+v9sOzl/WIrg0ayezA/ |
| TLSH | T1B0F0D4B11A2AD4C8C495D41969629084145CE145884355B5713D7CB9E5B646147320F8 |
| tar:gname | root |
| tar:uname | root |