Result for 13609C45B00BAA68DC6F3EA542C850A72841BFE6

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Children (37)

Query result

Key Value
FileSize259534
MD5EEA1EC1338240369888391811267A4E7
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
PackageVersion2.3.2+dfsg-3
SHA-113609C45B00BAA68DC6F3EA542C850A72841BFE6
SHA-25629BD75EF896FDF109C96C45D96D406939BB2D2F28FC5D3CC835BD0F2A0A7C139
hashlookup:children-total37
hashlookup:trust50

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Children (Total: 37)

The searched file hash includes 37 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/bin/obgen
FileSize19008
MD5A80C4469950C90C900EEB9CC3ED76360
SHA-1078F9B96730C35DF333CF338EBB9D03DCCF62A91
SHA-2560D3B7D4AA33BDF64A0E54510942B53D195E9F280628735A72E69CD79297FA47C
SSDEEP192:K3T9LSFXwqKeA2gL+kdcFRosbNmqFMzd+0iSi:8hbeA2c+kd2RRbTWP
TLSHT10482C307FB434F3FCDD9ABB4508702743A71BC9CDB68526F6604A2356A82B984E1B7C5
Key Value
FileName./usr/bin/obprop
FileSize23208
MD5729196AC5F01770D26F5FC5AFD24267B
SHA-1115A1A9FCF7FC7C65A01DE02882CAAFE3E1A7D09
SHA-25634C00013FBE67CD5F518DE441B7A0E2245B6C1B855930BC0D7F3AEBF588F9A3F
SSDEEP384:RZ/pYA0hOzfJOc7vFxr7oopG2WBFx4T71MQ:wILJOcjFV7Clnx4TJ
TLSHT165A2F68BBA134B7DC9C5BB3098CB507676717C98DE2006BEB14896311F53BA81F0BB95
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
FileSize12210
MD5671E494037A190691DB732DD018226C6
SHA-11E28C421A071EFFCF7676E5C3984C7686A986109
SHA-25646518C899A042FF6D2C9D00D8EDDDE6C5D040B62B286765A3879C6DAC3F7AD96
SSDEEP192:8l1B6d/RoIQ9h0QHnrRHb3HEMN4tSQuMSRR:EB6d/RoIQ9h0srRHb3HEMN4tSQuMSRR
TLSHT10F42C40E3D40C77B3AD023E1390950DEE327779B726D9491B04EC28A9B0AA7613F75E8
Key Value
FileName./usr/bin/obabel
FileSize31344
MD5C213C0307E0CD15EFDE3835ED7424C8F
SHA-122548BBBB6A3CD4414C50C794D77F1FFCE895C35
SHA-256BE98EBDE8310D950AC539BB2B0473ED4F566D1229B2B998A42E4A6C4F085DD30
SSDEEP768:lT2T14DXGHN5zvcef0InJ0rqEeI51VtvQ:I66PsL1VtvQ
TLSHT1FAE2E693B687467DC8C4FF3494C351927E707D788E705BAF2985E5362A03A88630ABD7
Key Value
FileName./usr/bin/obenergy
FileSize19040
MD53204CF82441D754C552013E230F9F669
SHA-134F5C7C6D3B2A1309F66797A7CC8559378ADBE56
SHA-2560B23E1BC8A2457301B2C0621C856F8D6E243C9B6DFBAB93A3DC79A1501037D78
SSDEEP192:Ki6N8o7TXwJyYiAPfxQVZSzEHDCLaUR9HNw2hbcOKIZSio:1inYiAPJQ/Sz++LaUR9tD6
TLSHT15C82D843FF43AF3EC9D4ABB450C716747A70BC9CDB74826F620862356A42B484E1B796
Key Value
FileName./usr/bin/obchiral
FileSize14880
MD5B5CFCE39A44B44A618DBF5EEEB8AE73E
SHA-145786CF024FF4275A75101CEBC2FCDE2FEBFAE93
SHA-25669C01EA1240B847D1D4773EF974F066F1142E3922E467A15002A432D1F0D8EB6
SSDEEP192:RDOPKcCXwhn1lgAAeSTksaqn7s9IhoxhGIicmyhFPDUoMSigc:BpcPn1SAABIvas9Ih3JA1c
TLSHT1FD62D907FA418F3EC6D4DB3460CB45696F71BCCDE752471B4204A5786A42B88171FBAA
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/obconformer
FileSize14800
MD55890D2B2234ED53F5292A2D736B79D05
SHA-151301825C60F6B4228529695F1E262555D6B51B0
SHA-25654DB3F01D387E25125D56AEB29B67C654AE219B7462E012C41B97862F3339FC0
SSDEEP192:KCU2pA0ywmXwasfyAlNBRqSrm2bJUuRuvUgfAVWL+oSijA:VK0yEfyAPvqSq2trscgfAV1SA
TLSHT18E62B34BFE12DF3FCAC45734949B16703771ACC8FB95436B12085278AA42B881E1EB9D
Key Value
FileName./usr/bin/babel
FileSize27256
MD53B6CBCF22C161B25C9282AB7D6B47EB9
SHA-1588DC3822BCF78ACE4C1C19F2D15833E9873AE42
SHA-256051A63E9B4EB17605DEB7747EC7CADC024087D4354E628667E5672E102D9D0A5
SSDEEP384:V3yqup6AYbnyd2OSptZr+GyYnfRvvF4Vdvo6cwh2:9yquO9OSptZrZyYJvGVdvdA
TLSHT143C20AC6FAB6457DC4C4DB3848C361757A703C69DE702BBE1144F6361A83B682719BE2





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