Result for 60FC41EA6A2ADBFD3999D739ED862564EE09E41A

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Children (45)

Query result

Key Value
FileSize120432
MD5FE320E6BAED69D857F66BB598A0CCBC4
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-160FC41EA6A2ADBFD3999D739ED862564EE09E41A
SHA-256AFAC2D51742DC811F07D2744622432DDE7B9936481557131DC67911F89F83926
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/babel
FileSize31264
MD5DD5C302F3A967156434ED7EB6E0A3629
SHA-100D19437468E167ACA2FF59B627AF49F52D05517
SHA-25676C1032B34FC979DCEB13B3795BC45883D18B260872D50788196003DFAAFA7E4
SSDEEP384:NdNnpePEIWcX/20KuUpIs6Yd7PeTW2kFrsXd3cBzw0A6BTl15vmlxp2:NddkG1F6Y865FIXd30w07xlLvmvs
TLSHT197E2F89A4D3292B5E5F1FB7200CB09ADB6A73CB537850F5D3B5DF3081972B48121EA62
Key Value
FileName./usr/bin/obrotate
FileSize18872
MD5D127068B374BB77B6AB9E3288002C66A
SHA-109C6E4D2E200100C5BE06C6C38258EDC68DCA9E7
SHA-2569BFCA5A8BED612920F4ED98B52119898D4975DBBCA8C05FC7DCB42369AA7941C
SSDEEP192:niqqev+zBw9ueAR0wjyRAan8jH6KigmPMtpbMDkNzeLVQnSmyU:nr7vuWueARPmWaZKigmPMkDOIVQLyU
TLSHT1E58294D7AF11CEAAC4F47F76A18F4278B63A1C74B6CE1E09B35DD7211A43B405E18A60
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/obsym
FileSize14720
MD5BF4EBBC3DFBEF6CCD8A7321B57E2F3FA
SHA-11BDF5466304401BFDAC6C82694D15CBA1334DF80
SHA-256CAF14305B9050C4939857C5BF12CB0AE827E364C48B7AD2F331C1286F80B4B04
SSDEEP192:Ua+wUdegEt0JS6rTsXl2oQTmUkPihVq2/Sxc:DgdegEtwLU12om2Pir3
TLSHT1B8621C47BF12DEFAC5F82B71029F4278BB761D64B38A070677ACD3141A5BB840D68B81
Key Value
FileName./usr/bin/obminimize
FileSize23064
MD596F62C5B3463023EFC456A9D323603FF
SHA-11EB5AFA19971BEB519D214C0E924369D41405AAB
SHA-256BBD9FFDD24AD3BF703882573726EEDFF8B922AF134495FAA78906BF6F4E715AB
SSDEEP192:kBjCRpwmtAYwc/MuGpa2EowriUqUGER1zsJk73PIj/PrOBjwGn/91DS:kBjCRBAYwIdGBvD4G41773PIjKBlnl1
TLSHT1EFA2D897AE329EBFD9FC3B32829F457872329DA4B7D80948B35DC3151A07B904E28750
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/obchiral
FileSize14776
MD5746550F01D8E6A6D0382CF13AA053643
SHA-12BEC975590E493A79C93B1219DDBC6E7DDAEFED1
SHA-256FFE89DF66807CE30C2A4224F597DE2326C4265177E2E15C5080277D9E61AFC95
SSDEEP192:663i8wtHx1M3i210aUIbuJ3H7PKhZhxJcS:66SLR1721HUUE7PKXF
TLSHT132627247AF269DF9C5F47F36819F4278EB371CA4B6890B0A735DE3101D93B405E18AA1
Key Value
FileName./usr/bin/obspectrophore
FileSize64056
MD58C56D1AF1BF5F2B1F25D1FE91016564A
SHA-13B05354F94D52B6966073F5E6C1ADDEE85051AA5
SHA-256990708264B7D2580282E7811D97B7F3C804AE2319538D488D840EE9311840467
SSDEEP1536:gbodAfyjnXPqfKQZtueiUVFoqu4fqV3yvDR6Z:KoG2CCQZtuPUVFffqV6R6
TLSHT1A153F8D06E3527B0E1707672858B85DFB7A32CA03B230F5D5B0EA31835A1B98879D977
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





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