Result for 69374DE4301F108A84667D88B202871F8C735C05

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Children (45)

Query result

Key Value
FileSize128704
MD506EE90DDF949058F0BF6349C0B11AE19
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-169374DE4301F108A84667D88B202871F8C735C05
SHA-25699FBD95C05144E189876CE36AE3F44EFE3A7076F99B916DDB3406248A5EDC7BC
hashlookup:children-total45
hashlookup:trust50

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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/obabel
FileSize30388
MD5C7E5D94606F5BE4E1FF4F3E7DCDA1897
SHA-1087F1C71E695108C41256A97B22F5D6D145A1252
SHA-256EC925852BE262867299E07BD17B864A772294CF8C9A62FB5CC5B1C578B4670C3
SSDEEP384:5qRi72ecnoI6oggTjNltlrGr+2XD1N/yhKVt3oxw/1ldv1KagurlrltTt0dtHKA9:5BcoYfTRlHrG+cyhw3oK1ldvrgfVZv0
TLSHT15AD2F912AB0FED36F5E09AB51103657BB9319C36880BC9D2B948BB2469329585F0CF74
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/bin/obprobe
FileSize22220
MD5FA506BC491C503E850A97FDA67C30940
SHA-1212D44DD28871EA8D79A94A66D0BECE15D0709BE
SHA-25603BD10171D3334821CEC4111A1D9EA6D0CDFD0EE914B16DC4544564921346E5D
SSDEEP384:4MkKV6dmkcz7NggTjNltlCNyw6FIzc+ouxisdyCd+TSG4l:hC0/NfTRlHCNyfFIzc+otszd+p
TLSHT128A21A47BE43ED30E6D33F75204707BBF6329CB1898B83977A5C6346A661684ED12B24
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/share/man/man1/obsym.1.gz
FileSize806
MD53F72861AF58D802DE95B715EA00F7C98
SHA-1485E1A13B7BB0FF89504793BF1B287D5380CA871
SHA-256BC3525C46466F08A6862A4A06C45152FB7867419326B59026DB1AB3569814E9C
SSDEEP12:X7z/d4/qUTOirkJ4N3S/olu0ERrHQ6XQVoDfuOSu7OPr/QGLWTm5AKfdY2o71TVF:XA8Ju3kHRIoDuOSu7O1iTOAKlY2Q7H
TLSHT17A01CA7853AC1DA5C0D61E3798F05761FE67C4BB5998C038E4241818605C5E59FC9137
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/obminimize
FileSize22200
MD5DF8751959D394E70BB64A335FE68024D
SHA-161306050FA1650A9C6AC2EB6314A7B2CCF7E31DF
SHA-256D2CCEFCDCAFFFC241F07971C38B4F1FF66EDD39B9A3C30F17A6753142EF93778
SSDEEP384:qH/VytY3FggTjNltlCI2d6cgcIG5nzqyiOik4F5JYtSO:TKFfTRlHCJd6cgcIKnzqB9k4Yt
TLSHT1ACA209737E42E935E6D21A75004747B47932FCF1D28BC697B60972015A63BBCED12B24
Key Value
FileName./usr/bin/obdistgen
FileSize18056
MD5D2C176E4E145C7442CE2C5120BF61817
SHA-168C461E91171356D88505393C1DB010A3459499C
SHA-2567F30A68280A9D56481C3A7AA38557E5683E7980C3C5429E048AD66C875CF989E
SSDEEP192:zTYwHWw7IT33mkvVykAGaeDX3Qgc2EwjHtK1JGOUAR2JAkWG67Er:gLT33mkvVyRjMggTjNKV2JAkWGr
TLSHT1C682F913BF42E932D9D32B72104707B575328C70CA9BC69B7A4E63084AA2FCCF906756
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/share/doc/openbabel/README.dioxin.pov
FileSize267
MD50D4AD81FEA2F0760D65C23173F5E57FF
SHA-16D415AA885FB77611FAF6F0F86FA85EFB81D85A3
SHA-256554ABAA65AA4BE75AEC9B71693FE3F974A52E6EDC6C625A44E7C4FF2F885E15F
SSDEEP6:d52ciQIKXKW7GQKzqo7jNVXIWazNVV/6BM:d5NimuAo7jNVszNVIBM
TLSHT128D02E1AEB023C72B2C88D92C1C5051A9743E0988136BD882B3DA04C7F70B31FEAC1D0





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