| Key | Value |
|---|---|
| FileSize | 101356 |
| MD5 | 737B5EF1925CD7AD3C7F935C73F45CCB |
| 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 | 03301DD6829CD5E5229C960FE47B2C615D8C3111 |
| SHA-256 | B67F51A2E7A8056E6206CFC9E72CE5A5CBE735D91B5D13AB7405A3BB85992069 |
| 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 | 278048 |
| MD5 | 7BA48CA3F069E14327EFA527CE5A641C |
| SHA-1 | 1596DBC7DFEB4A0AC5582C0B8F383E9B2DD42616 |
| SHA-256 | 264AA76F6F01D3869EE63849CB5CE4A4B1151BA49854B58A9A982157ED9B711B |
| SSDEEP | 6144:gKfNgnNOGz6aIiv43KLmnXChuQYgB6oh1Yc8+f2qH/FcD8w3zwv/tAzjKYuHDMtM:gKfhGz6/iv4aLiRc8+TcD8w3zwv/tAzC |
| TLSH | T1FA442B27BA42FC31D0E30AB01157D7A198242F32C79780D3B6C16B7DB9F56D99A12BD2 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/changelog.Debian.gz |
| FileSize | 8471 |
| MD5 | 9B9E7D485642B3B26AB093421C6ECE7D |
| SHA-1 | C6014D8336C16E3963E501B20165FF39E043E86E |
| SHA-256 | F77DF2902CC8322507D9E8A1B4BF33A6537FB2EA37BA9A41E8CA9ACCC247C036 |
| SSDEEP | 192:ZvfF7PuYUcwXFETUAVyEJiiod3LXDtBpYW3arBE7VmXbXWm61cxg6zi:ZvfkY8XFETgEJiiSPtNq41R3 |
| TLSH | T1BC02C0B8705ECD0C02C2667E64B56A890238017894EEA0B166BC690733DFDEC94AF3D3 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/copyright |
| FileSize | 29241 |
| MD5 | 1B9597AB960B71F33AA7CBF07E2E964F |
| SHA-1 | 241BC079714911629122DBDD37B390048D25AD43 |
| SHA-256 | 5B3D02092B74BF02F43C3F46F7D946E702D8F58ABF2E67928CA006BD1EB317BA |
| SSDEEP | 768:EBgdvh/FHb3HlMNoMN4tSQuMSth0T8aahxsXuGb6cEcrb4vI:0gdvh/TbbIDNosA |
| TLSH | T169D2A52F7B4543B22AD11291364F50DEE32BA16C327B4990709DC19D236BD3253FBAE9 |
| 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 |
| SSDEEP | 6:Xtl0mvyXyJhvdZFwm0dD3yj90aXOKkrH6KbUwMi5E7IlQujWSHStkp/sPrO68WEq:XfXqKhCD3HHnzdEsBy+RiOCuvOd |
| SpecialCode | |
| TLSH | T143F0230C057511A0F5CA90F6FE42170BB997AACEFE2A7CD244BD27368C3C235E671418 |
| db | nsrl_modern_rds |
| insert-timestamp | 1646993731.982095 |
| source | NSRL |