Key | Value |
---|---|
FileSize | 3209344 |
MD5 | 69C6FBE140C10661D4E715DCFC3B8213 |
PackageDescription | test files for AutoDock AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account. . This package contain the test files for the AutoDock program. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | autodock-test |
PackageSection | science |
PackageVersion | 4.2.6-5 |
SHA-1 | EFCA2C37D052CEA3245FAF841D03B8511D8D6D2A |
SHA-256 | 9EE918B41D3EAE9012D91A4C5BEDC63DB9E91084FD3C3F46717C3BF2FB52305F |
hashlookup:children-total | 128 |
hashlookup:trust | 50 |
The searched file hash includes 128 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp.dpf.dpf |
FileSize | 3017 |
MD5 | C17E259BD25351DEB805D906706DA7B6 |
RDS:package_id | 182052 |
SHA-1 | 00A0730B7A117D81E6E45F9B219730C159E54AAB |
SHA-256 | 16F9618C0CBD1EC84BBC55F5DAFC48BC860A3DCF5640E71D8CB1EEC02F8C4F3B |
SSDEEP | 48:Pp+EIDF48ZhtF4ZOsoTGygTjS8apmc9RD2FvMdSpD9M:h6RZhtF4Zq5grapHC8SpJM |
TLSH | T19151539812C6122DF4A2D391D4AEB19067BCD06437D3424CF94DEE7D5B43D24D367A84 |
insert-timestamp | 1679424702.2591949 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_about_only.dpf |
FileSize | 1617 |
MD5 | 78AA7102BC183720D5C87C192DC22D56 |
RDS:package_id | 182052 |
SHA-1 | 03DEFE0AFFC8969AFDF6772DA485EDD2FB296F00 |
SHA-256 | 5F2E9B19DDD6D657AAC5AC9692EFEB6BC31779E1065EE26ED26097264CAF5456 |
SSDEEP | 24:3fp+nKU2OE8ZhtF4Zo6CsZS0Na5m8/E9RH1rjBzuwjrHTuuk:Pp+nF48ZhtF4ZOsoTURVdtm |
TLSH | T14E310E981389122CE495D382C49EB092E6B4809973D2029C385CDE299B83F64AA62AC8 |
insert-timestamp | 1679424702.8104646 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp.dpf |
FileSize | 2457 |
MD5 | CEEEE093B9784901CA923D8B1EA4BFC7 |
RDS:package_id | 182052 |
SHA-1 | 0577EB6ED420BC601FE13AAAA255A1BD43B28D3E |
SHA-256 | 3BA986737EA1DF6932686A4AB5BB983C6E93FDD8B2FD53338E8A017385FBC014 |
SSDEEP | 24:Ibfp+nKU2OE8ZhtF4Zo6CsZS0Na58yRS0Na5PcPPx8/E9RHj2JkjBzujwTk6w2FH:ITp+nF48ZhtF4ZOsoTGygT2RD2mmpD9M |
TLSH | T17851549412C6062DB9A5D392D0AEB181A77C906433D3424DBC4CEE6D5B83E24E767EC9 |
insert-timestamp | 1679424702.7478874 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_lig_33tors.pdbqt |
FileSize | 6710 |
MD5 | ABE618FE57D28B0E534A8BC6B4052D23 |
RDS:package_id | 182052 |
SHA-1 | 0CE1E2B2CF344929D70CED467ACB80274752A0ED |
SHA-256 | 0E649A43B3EF8D77FA03BF7A69F7B1959775C2D95149AE168134A1C1FF9E7EA9 |
SSDEEP | 192:Lsd6RD0mOSFe6y869JCZ6iy869JCZ6iy869JCZ6N:Try869Q6iy869Q6iy869Q6N |
TLSH | T127D15DCF0F1D55A2B27DE6DA8BA252C12734D112B526186932FE6DF88BD191D2BCC04A |
insert-timestamp | 1679424702.3216643 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_lig_32tors.pdbqt |
FileSize | 6677 |
MD5 | 794C388CED6CE04F91E2D28626FBB90A |
RDS:package_id | 182052 |
SHA-1 | 0CE3A27304A1BCC520E913FFBF76EB839E750651 |
SHA-256 | D2BC6DD59697DB2BC2E256870ACE68D5CBE8A5272B1EAB3BACBF2604BCE827B3 |
SSDEEP | 192:Usd6RD0mOSFe6y869JCZ6iy869JCZ6iy899bCZ6N:kry869Q6iy869Q6iy899W6N |
TLSH | T1F4D16DCF0F1D55A2B27DE6DA8BE252C12734D112B526186932FE6DFC8BD191D2BCC04A |
insert-timestamp | 1679424702.7719228 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/hsg1_small.C.map |
FileSize | 551684 |
MD5 | A63F40C33B8324551458C82E5CD13356 |
RDS:package_id | 182052 |
SHA-1 | 0D08291E0981AFBAD379C1738BAAFBA5E256D643 |
SHA-256 | CEC5B9F112D7E5C062904A196D1DA1580BAF88BE673DF1D7437760A9709FC866 |
SSDEEP | 6144:PmHGMEes4sYyp3/iVd3wR/FPMuDvV2FGrIEGf1kxSG2FnL7npA8fEu6i/IaqWbFa:7pHvusXGf1hYV2GAt7RuF |
TLSH | T199C497BBF3DF4CE3BE66845E73E5A091D6261076E6A6B0503B1F35084D9301D1AAB7B0 |
insert-timestamp | 1679424702.6935918 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_map_truncated.dpf |
FileSize | 2887 |
MD5 | 7F190B74E9A23100BBE8EA5464E1918D |
RDS:package_id | 182052 |
SHA-1 | 0DDF7DF098FAE8328AFFEE90E2591D5658D0F18E |
SHA-256 | A62451C5CDD4EEA9BA5BB2F0D81080D723629A8305B1BDB412C9D5D84BBC8DB4 |
SSDEEP | 48:IIDF48MBD4ZOsoTGygTjS8Upmc9RD2FvMdSpD9M:zRMBD4Zq5grUpHC8SpJM |
TLSH | T1C15143A81286123DE4A2E381D4AEB180677CD06537D3424CFD4DEF7D5B43D25D3A7A84 |
insert-timestamp | 1679424702.2396398 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_rmsmode_unique_heavy_atom_pairs_only.dpf |
FileSize | 3199 |
MD5 | C754D6A4C1DC79EDF9442E2215497627 |
RDS:package_id | 182052 |
SHA-1 | 0E00CC057F29E447EFC548513D067EC7B0CCDB69 |
SHA-256 | E975EEF95C966D6D08118BBBD7EC55B6AF3252682125E0598CD7FB5E6E5A723D |
SSDEEP | 48:Pp+3IDF48ZhtF4ZOsoTGygTCS8apmc9RD2FvMdSpDLJhE:hHRZhtF4Zq5gyapHC8SpX4 |
TLSH | T1246186A812C6562DF4A2E382D46EB1C067BCD06437E3534CB98DDA7D5B43D28D377A84 |
insert-timestamp | 1679424702.78568 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_about_auto_simanneal.dpf |
FileSize | 1128 |
MD5 | F5437F1396AF54A459BC9AB30CAEFD5C |
RDS:package_id | 182052 |
SHA-1 | 11187BB0FE2BFB652F2C4E0E8335153EB9421894 |
SHA-256 | 48EE4E178794ACC2AE6E19A14F5F25BCAA67D45299FE0780BA7AD20BEE429D65 |
SSDEEP | 12:3UTd+RKBqxXTLNlTU76DJ5eo4IEI91/F8V18V8v8V+84Bo6OTXKPmv65s3pm/LEL:3Up+ZTUUVE8UAR94Bo6IKPL5QpmDoiof |
TLSH | T1F221902862CB013DF854E251C4ED74A3A2BC584AE2E307AC395CC66E8FC3E44A957D88 |
insert-timestamp | 1679424702.7622921 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/autodock/Tests/1pgp_ligand_types_map_mismatch.dpf |
FileSize | 2868 |
MD5 | 804A855D4BDA56841A424720CCC56027 |
RDS:package_id | 182052 |
SHA-1 | 115E217EEC09593DBAC481D991706D7065200D36 |
SHA-256 | 25D289000315D6D2D18F24CC69482BEA0825517FC43ECBF93ABD596E54C743F2 |
SSDEEP | 48:IIDF48MtF4ZOsoTGygTjS8Upmc9RD2FvMdSpD9M:zRMtF4Zq5grUpHC8SpJM |
TLSH | T1D65153A81282123DE4A2E381D4AEB18067BCE06537D3424CFD4DEF7D9B43D24D3A7A84 |
insert-timestamp | 1679424702.7016156 |
source | RDS.db |