| Key | Value |
|---|---|
| FileSize | 4980 |
| MD5 | 7BA01D55EADB04BD4331FF21E101EE97 |
| PackageDescription | instructions for getData to collect compounds This package provides instructions for getData to retrieve descriptions for sets of molecular compounds that can be used directly as input for autodock. The data is not provided direclty by this package. Only the instructions for the download are maintained here. . The FightAids@Home project of the World Community Grid publicly provides the input sets of their runs. The original structures come from the ZINC database and have been processed from the mol2 to pdbqt format by the Scripps institute: * asinex * chembridge_buildingblocks_pdbqt_1000split * drugbank_nutraceutics * drugbank_smallmol * fda_approved * human_metabolome_pdbqt_1000split * otava * zinc_natural_products . Please cite the ZINC database when using that data. |
| PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | autodock-getdata |
| PackageSection | science |
| PackageVersion | 4.2.3-2 |
| SHA-1 | 2C059F1A03D223A27AFAFB27F13F95DDC47279E8 |
| SHA-256 | FB29A810B613F1B88FC505A5960E0878E42B6CD19376F9E25D3881CDD2D200EA |
| 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/share/doc/autogrid/copyright |
| FileSize | 2069 |
| MD5 | 6EF97D35740364AE00F58C20B84BF51D |
| SHA-1 | FE84E03207E085E98D3A0995DF385BE9808108FF |
| SHA-256 | 6892908EE1DB4824FA40171C9301F5C735D4E5088934DF937108922F662A0511 |
| SSDEEP | 48:PRmv2lrqNhm0z5lrqNk0zYNuzJYebyJHcDFH/xKdd:JXlr0mclrDDKme6cDqdd |
| TLSH | T1C541D898CE74C73994D40093354B80D693994B9BF266E34B308D8BD49F4EA505FDA41D |
| Key | Value |
|---|---|
| FileName | ./etc/getData.conf.d/autodock-zinc.getData |
| FileSize | 1008 |
| MD5 | 8F35A94E847BAB3070E2424CD0B8448D |
| SHA-1 | 64EE7DAE17B12E6843F203D602B2476CF1C11CA8 |
| SHA-256 | 443327BCE7B08838C87C623B578222D6307F37CB667FBC138DD0259D785D4F39 |
| SSDEEP | 24:uVyVYzsiW8VouFWOTaTkfHlAQHmfcdk+8ve6S5akgow:uVjsiW8XcOTaa69sk2x4sw |
| TLSH | T1BF11A8D284FC4AB23A9046E53DA50141F72C915B475E5871FC2D802CFF954394629702 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/autodock-getdata/README.Debian |
| FileSize | 479 |
| MD5 | EA43D6E4B14A74116C47E302E98BC8E8 |
| SHA-1 | 66A2A209F8AAFBC2C866C6A79CFFAF16568D0513 |
| SHA-256 | 884E81354C12856999DC768683EDBD1F28C47F837BD8C997D87BD7B38ECF4812 |
| SSDEEP | 6:qU+vczAaXOuQfEG2NLz8ZXJ3hWvtL1BXA9FqX0Jo8HaXJt7Epz7eJJ5h//1:qnvsAYNN8ZNhWvtL1BXA9FvaXJrJP |
| TLSH | T179F0DC955A3484D47719BB8275DDBC518311B86933F3D04159AC9D3C2B0ABFF21FA950 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/autodock-getdata/changelog.Debian.gz |
| FileSize | 1449 |
| MD5 | BFE261E31140C075EAAB39B2BD3C5FDD |
| SHA-1 | 7F5560E716747045A3BCA82ED1E65700EFD47A25 |
| SHA-256 | BC5F1C0E9AC278A434D14705DE13121793D7A31FBAFF35752ADBEF8D03EBF970 |
| SSDEEP | 24:XUqzLa8QYdHxEDM4IkwGx07cTBklecbJJQJWLqY49b/Cz0woXhUUSXuAz/LXMrJ/:XUirQW63D9m+eecbJJKWLU6z5zL4S+I2 |
| TLSH | T12C31E675A39C8091C58591F7351776D69BAFD5F36CAC838C1E07A835A3B5A0B0AC3BD0 |