Result for 1C2ECF5BC62092393501B6230E1CD7DDC648FEFA

Search result
Graph view
Children (37)

Query result

Key Value
FileSize259664
MD58160DBA39B96B4F5BA1D8D403739F24D
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-11C2ECF5BC62092393501B6230E1CD7DDC648FEFA
SHA-25677A92829FB9ACEF88CD6F4B05EBF0885B42A9871E7F93418ADB0E225F98E4F0D
hashlookup:children-total37
hashlookup:trust50

Network graph view

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/obrotamer
FileSize14028
MD54BE1E6C885F7890438A1EAD01466F3A6
SHA-10DA515FDCEF4DA786CC012382AAD0C9F368AC450
SHA-25640167247C4EE8CCF09C67501BF53130B71695BF5DEF87FD7971D80420D8A3033
SSDEEP384:0nJW9HZWPHC8+WwggTjNlC8tfPelhfiXd0:Vqa8+vfTRlCa3
TLSHT194520A23BF42D975C7C32678010F8B75B633ECB09783C64B791D52684A91ACDEE05B69
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/obgen
FileSize13988
MD542A671221F29C5F5341DB4B055C0B6EF
SHA-11EA5887BE181F460689F089DE7680E294BA6CE52
SHA-256CE692FEB89348912DE5927E9A433A796EB1E73E2DFBB88A6918DD5629257A2FC
SSDEEP192:TMTPXwqK6VyQFHSvI/FDvP6X3Qgc2EwjHtltc6FfEtMR1/yVcbwBaB7BWS:x6VykHSUoggTjNltBfEtz5ah
TLSHT1DE52F9137F42FE35D9D217B5114B0B78BA32DCF09A9BCA97BA0D62045692BC8DD11329
Key Value
FileName./usr/bin/obenergy
FileSize18100
MD51FEBD71E8F396401B8313871459DF047
SHA-12662F7BF0686ED641F9E522C082CA29367FADBD6
SHA-256E3C58451C34427F7DAF9C392A40ABEE67EA543B2BFAF9783961D9CEF212A22F5
SSDEEP384:f2YoVyG7pIi3OggTjNltlzb3RZDR8TZWaxLpFgxKVpI:fbiROfTRlH/RX8TZWaxFdp
TLSHT16F82E713BE53F971D5D31738205B5B79B831CC708B5BC297B60D23089AA2B88FE16769
Key Value
FileName./usr/bin/babel
FileSize26304
MD51A13BFD3969BE8BADB9DEBB012F4318F
SHA-137A0C4C50A4B2AD2391E3C5AF74D3B55C84C889E
SHA-2560CC7C0EBE59DA2C06E72754AED9FEAFFBAB284BD625923DFCA3DAA03AC333AC1
SSDEEP768:jajOk3sM4fTRlHC5MInK538sVlNvN1gu:mCk3s9tlIm8WlNvN
TLSHT100C21852976BFF76F5D24AB4058B293B6A31AC36D84FC9C37548BB284421048EF49F78
Key Value
FileName./usr/bin/obprobe
FileSize18128
MD50478F853FDF2FF0EF8452359F7CC8A97
SHA-141FB607B1341B5029C53C6AFE6D7440FEE870B8D
SHA-2568E7AD471978540E773DEEFA90199FFAAEA847E5A29CFAAB88E2C4661D39F6AF9
SSDEEP384:WEgaJ6dmaE/QfMggTjNltlCErAVUPTrEu94Xec3ggp:TQKokfTRlHCY17rEuKQg
TLSHT13882F6867F43EE32D4C33F3821434B7BB631DC70CA5B8257F65C665896A2588F916B28
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/share/doc/python-openbabel/changelog.Debian.gz
FileSize7132
MD5B53AD774A6BA9752D941747EF3BE6B3A
SHA-15CDC8EA225FE98A380C561D57FEBD4C9E3EEA8AA
SHA-25668D90DC5619AA95853D8ED99F2F20FCC06077E22B551B6A1C0FE1D41D960E99F
SSDEEP192:72KFG/ZiIAfxYZWen082DO0EnPng/YOK6Pl/tH:721/Jy/en082DOFPgAOhPHH
TLSHT1EBE1AFD8158BCADE3818DDFF45E69A2E1B8339109B7306DFE167CCCE2184D4981C5445
Key Value
FileName./usr/bin/obminimize
FileSize18112
MD5AB35BCF5CC88E492B4BC6AB31B575834
SHA-162D10A272FD9EC41D804D30E1E5AD5FF8A36B934
SHA-2569C8D7C172648815CFD64328B055FBB2B0D3B800E533E07293D1ED4932E0F34E2
SSDEEP384:MmBVyPTyFAaNGggTjNltlCjy7d+pclvMcvBv19AEUxKTE:ULKNGfTRlHCE+q5919A4
TLSHT105821973BE52F936D5C2177401474B24BD32ECB0DB8BC283B64D62549A73BA8F902B65





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