Result for 69EAEE695AC37A93B7BDE73F7A1953290A448E3D

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Graph view
Children (45)

Query result

Key Value
FileSize117464
MD595D0070C2E4730A644F900344ED9946F
PackageDescriptionChemical toolbox utilities (cli) 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 includes the following utilities: * babel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obgen: Generate 3D coordinates for a molecule * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obconformer: Generate low-energy conformers * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode * obprobe: Create electrostatic probe grid
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNameopenbabel
PackageSectionscience
PackageVersion2.4.1+dfsg-3
SHA-169EAEE695AC37A93B7BDE73F7A1953290A448E3D
SHA-256A2CDAF82C6EE525AED0A1576310BA09C37A48D895651882620B4989EF9323482
hashlookup:children-total45
hashlookup:trust50

Network graph view

Children (Total: 45)

The searched file hash includes 45 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/bin/obprobe
FileSize22308
MD521C018FBFE8A7B8A199CDAEFD2F0C84E
SHA-10153C56C3EEE3F558BE8C92A6D97F2546CB65573
SHA-256A8EFD79A4215A099943CBC8FAB69C1FE3F37F6EDAEA3C449AA2EF2CB7DBA8942
SSDEEP384:D9h0V6d118Z2zd6TVTGC2baaPaCvOOLOaI0Hyra:DZ4qqc7aaPaCvOOLOaIJr
TLSHT104A2D787A9636A37C8D03731B39F1B143F214CD9D9DF2B13AE0CA61C6A51F6E4D95A80
Key Value
CRC3279F0EE23
FileName./usr/share/man/man1/babel.1.gz
FileSize3694
MD50F03EEB2A2D7493B119F12E4F1C7083B
OpSystemCode362
ProductCode181156
SHA-1154290B1891EF2463CB27BAED0C4F9244FAA22EB
SHA-2568233E26437D3A7E513AA66C5773350587ADDC55937B898165D880D280E89CDFC
SSDEEP96:21Bcf+ITZpzYiPgk4w1OXGN00x9t8RqHyCqqvTWA:21BcmIlxvwWNr8MHxWA
SpecialCode
TLSHT1FC716D35E16CAEB02F88A34CAB0F2C0DAD36C080605777EF9984179F5D1CB484676926
dbnsrl_modern_rds
insert-timestamp1646985968.228033
sourceNSRL
Key Value
FileName./usr/share/doc/python-openbabel/copyright
FileSize29241
MD51B9597AB960B71F33AA7CBF07E2E964F
SHA-1241BC079714911629122DBDD37B390048D25AD43
SHA-2565B3D02092B74BF02F43C3F46F7D946E702D8F58ABF2E67928CA006BD1EB317BA
SSDEEP768:EBgdvh/FHb3HlMNoMN4tSQuMSth0T8aahxsXuGb6cEcrb4vI:0gdvh/TbbIDNosA
TLSHT169D2A52F7B4543B22AD11291364F50DEE32BA16C327B4990709DC19D236BD3253FBAE9
Key Value
FileName./usr/bin/obgen
FileSize18164
MD5AC8A8A48189CFB6DB60451DDD164FA9F
SHA-1419D41F5A96164A267F0CDA45F68E6B2C55151FD
SHA-25637999BE6C718A6BC9DCB1424C9D00B6796A9C18BF35E710D0A12BE589533929C
SSDEEP384:luJu9DoMIPlzUlb8WikE3aaPaCvOOLOaI0nuyfk3:lR7k5URik4aaPaCvOOLOaIiuyc3
TLSHT16382C5877A629F33D8D03A7572EF0B583E615CECD5DB6783AA0C93182781A6F4D01B94
Key Value
FileName./usr/share/man/man1/obsym.1.gz
FileSize806
MD53F72861AF58D802DE95B715EA00F7C98
SHA-1485E1A13B7BB0FF89504793BF1B287D5380CA871
SHA-256BC3525C46466F08A6862A4A06C45152FB7867419326B59026DB1AB3569814E9C
SSDEEP12:X7z/d4/qUTOirkJ4N3S/olu0ERrHQ6XQVoDfuOSu7OPr/QGLWTm5AKfdY2o71TVF:XA8Ju3kHRIoDuOSu7O1iTOAKlY2Q7H
TLSHT17A01CA7853AC1DA5C0D61E3798F05761FE67C4BB5998C038E4241818605C5E59FC9137
Key Value
FileName./usr/bin/obgrep
FileSize9832
MD5BB0B3AFA4DBD3A0CD65BC34090285842
SHA-14AB9EC6A3F4A071B06C299CC9FA4CAA13F7D4B28
SHA-256E012A6A52CF6EF83BEF45DB5FC79905C2E803C433C9F4B1F7C0189E0CF338464
SSDEEP96:pNeHb9SNg+B+BIFVSawfj4x3HFnEPxqvZdf1gnGcIGFcJqrlP4OoGh:uHgK+wSFVSnMx3ln8AvZDgNIGeJqZJ
TLSHT1F512644AF6D38E37DCD1273914570F207761C98943AB5B03850C67292E67FBD1E1AE90
Key Value
CRC32F1C1A70F
FileName./usr/share/man/man1/obfit.1.gz
FileSize1236
MD56C5777667F3CAE1F2DE7DA2CA20E333D
OpSystemCode362
ProductCode181156
SHA-14F7ED09CEF007309916B657AF39491143C52CBFA
SHA-25694E9C7D383190222A89990A872CE3D82E24BDDE8024E1FC546AE14DE59C3E2C4
SSDEEP24:XhbbHpdqfVp64WMsxS6s6900EsbfUP1Xfk7AZiMdEk/Uu7NvjimHnLwq19rHGV2X:XhbbJ4KMcSA900xUtfGaOANXke1dX
SpecialCode
TLSHT15821EA65D89CE2D959F6DE315082358F2D0EB1FCCDCD057AD1CA5329961048105DFF5C
dbnsrl_modern_rds
insert-timestamp1647007820.0786736
sourceNSRL
Key Value
FileName./usr/bin/obsym
FileSize9896
MD5D0A68E9DA538E8C0AFE1CBB32A479D3C
SHA-1565A6F48643F83343E215F9C49A2729B121B7F33
SHA-25667EA2D948FED88329EAABA7AEE9FDDA8717146C5DEEA4D2D5A1E53EC08FE94E6
SSDEEP96:oNA/fbB+BqdexVP72Dwfj9/dFH7oe6VNDVwNTjbYTodXOn9qf0BYffDP4bQoy8:vbwUdexVPZLFH7PI308oRO9qf0BYfL
TLSHT1CF127383FA57CE73CDD427B1226B0F1037659CD982AB5B17872C17242F97A6E5E21B40
Key Value
FileName./usr/share/man/man1/obrms.1.gz
FileSize894
MD5FEFA74BDFE57FE3CCEA05910C2E61913
SHA-16A008D587233907C784C31BA41D927E8AC3D9CC0
SHA-256A6F022AECB450CB6D4F5B054B9CACDFC4F6C0C09B0E382EF23B46C95D7BCF005
SSDEEP24:X6z0hrLsT+rRJdXFCPoC0o6C0p3xe6ifdlfIsq:X7e+TdXFMo/pLKdlfIX
TLSHT18B11B705B63896901ADE2CB12F0EC99F0C07DDB5A021295F8EBB1440E6491F86C10576
Key Value
FileName./usr/bin/babel
FileSize26364
MD55BF2D963BED945698BAF83CDE54A1FD3
SHA-16A2C2864DFD11D982C6B3580171D95FAEC5C2E94
SHA-256C6455CA0C796B391D91BCE66591CAA65F8126412A7A28358E157DB79C891FB8E
SSDEEP768:RiC6d3GtqdJBcgbZamvOiUxTAO0ZLZVMrUor4iMZDdXwoaNDjsBlrvek:sCeWCJBPMmmiUxTAO0ZLZVMrUor4iMZI
TLSHT1CBC29753E5C68E32C8C23B35379F1318BB629BFDC9D56727951C40096782AEF0E36A64





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