Result for 9E32F923E38B528A15E3D3582EB24E0F2B667567

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Graph view
Children (45)

Query result

Key Value
FileSize117104
MD52AFCE8E29F2CF378A495AEAF405652E8
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-19E32F923E38B528A15E3D3582EB24E0F2B667567
SHA-25646C7A4D52990895F6F85770119A45EF30706EEA4F095208D4ABE983AF0FCA3BE
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/obtautomer
FileSize9940
MD5FBE25CE1BFD7F349866BD7E25CD47466
SHA-1064F6256706DF53CF38DF015B2590ACC2D0AF780
SHA-256BE8E2C28BB27ADD90243AD720BCEDED95DE861026471877C7D9147BCC9E2C54C
SSDEEP192:PeJcFw3HrVX48EpdFc9EEhK00BFl/5Gbwc3uGD:o5HrVX48Ud+ht0BFl/5GEc3uI
TLSHT1BC22A58FFE939D76D9D02776316B1F712711DCCC82890B16050C93541EE2AEA6E17FA4
Key Value
FileName./usr/bin/obgen
FileSize14076
MD58980ED5E4AD9B72B4D8F8572E041DABE
SHA-10D0BD69A90C6A7ECF7B2DF61D08206A79BB9276E
SHA-2568A30C217B6A9F0D4F14D79B2C6981D3BFA2930AD32C13BD4FC3505F7415F27AB
SSDEEP192:N18nFwZTu9DHqjM+xyEnHxVXzhf6jMqA+uvPjv0:N1Vu9DoMvkXD16wqA+uHj8
TLSHT1ED52858A6EC32F77CAE16F78554F0E2467618CDC8ADB4B57624FE0101B81E58ED1EB84
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/obrotamer
FileSize14096
MD5E30976600AA9337C3872BF22236ECF8F
SHA-12087F1C547E2BB76D75017BC932D8F4988FF23A1
SHA-256163643765D3CBD741E86E31EF3EB8D513C74D74F6AB036A06DCFAF60DD197C88
SSDEEP192:RB/uNC3iMT+uwI29HOTP7LC8DIB/ARduHvG3RCpoU6HqEwc+Yh:RJzq829HOTPHC8YARoH7poUuqEw7Y
TLSHT18E528685BEC6D933CAD02F3921474B667772CCE89DCB0B07542B90500E52E8DDE8FA85
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/obminimize
FileSize14088
MD538154D189D0A3F96997A53B3ACD85FFD
SHA-129224CCA20FA92ECB0B91CF0C5F34C4F1ABF646A
SHA-2560EFA9406E8E087C1126601758C77D9A8F3AC8CF2940F821300D9551709F343DD
SSDEEP192:VRctM+wmt/Vyuq0iDDzFU0nN87Eu0s8T/0Zsv62mtYEHIbRSn2OL:VGtb/VyX0iZU0zr/2C62mtYmIbRRO
TLSHT1E152A48E7AD39E73C8D16B79519B4E386721CCDCCADB0B47A14F90901B82B4A9D5EF40
Key Value
FileName./usr/bin/obfit
FileSize18176
MD5FEC3E9D3F29ABC8576F0FAA979925D39
SHA-132C6B5DFEE33E89F3A499142000C2400DFDC442F
SHA-2560A7E1B8DAAE7A9C7D91C79731BD5AC53AB18B696A0FCFD1B6A06E992133B4A9A
SSDEEP192:ns42WvQ6dwJcRjfpZSPzvBhZmHS2uo4Wm4sOCRF9IGXqonKbYz:n2W3VTpZSr5hENurWm40RF9IG6oKbY
TLSHT11F8218827783CD3BDAC1377030678EA66696CCD9D9950B8B659C48182F47F4E5E02B7C
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/obdistgen
FileSize9940
MD5EFC98BE030093AD62DF0B4584A22768E
SHA-1672A5D2082A5149B4F5AB3332FD782AC6C7729E7
SHA-2566E24E81FD21F95658D2D47E25F1E3E1149E52E7BD30C937AF54BB2A4DB7A9615
SSDEEP192:ih2w7IT33mkvVy/SlhaOpAAnEqbURl05L53k:iKT33mkvVy+hakeidd
TLSHT1D022A882BE535E77D9D07B3F956B0F15B322CCC84A8A1B77758D57300AD36A98C12B40





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