Key | Value |
---|---|
FileSize | 2748980 |
MD5 | D88402008507B84AA376EA31137D2B9D |
PackageDescription | Chemical toolbox library 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 contains the shared library. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel5 |
PackageSection | libs |
PackageVersion | 2.4.1+dfsg-6 |
SHA-1 | 036C30CBA281AC975DFE4B324DBACA583931D192 |
SHA-256 | D4080D1474DA12158CF25C0E664C3CAA3B0950B6020680D4B107811658E25A83 |
hashlookup:children-total | 181 |
hashlookup:trust | 50 |
The searched file hash includes 181 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/cdxmlformat.so |
FileSize | 59488 |
MD5 | B79C20B4D40965F605A80C2781987862 |
SHA-1 | 007A3EC6E7CF5F48AEE3E236F4D380ACC80D4BD1 |
SHA-256 | EA8AF6C74AB7310A4A2372E98D21C072B655FCAD26AD42DB913E6999B65390F0 |
SSDEEP | 1536:l7p7dmyV/3H6iHyw9fLoIpbU5NlkbKEHGU:ly0/KFwjI3lj |
TLSH | T1BA430903FF496E36DAD78F31442FE1756B3F2CAB62944717766C4B484E12E884D82B89 |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/inchiformat.so |
FileSize | 1182688 |
MD5 | AEA35D7D9C57E70CEEF475F5381DFAC2 |
SHA-1 | 011B62F6804DDDD7318FD50E0FC11038E069E605 |
SHA-256 | 6B483C2992A073D297876E0E7046DE5964C89959F146AD7CDEBBA43D6AAB2D2B |
SSDEEP | 12288:SKBqUk5go3w172akNycYU59hDiJm6CRIK+6EhVyK+IIDHvYLBOZp6+1JDM9kNgAP:JkUk5go3wZFpU55N+NYKlCHvYV86Kn3 |
TLSH | T1A3455C03AF0A5F9AE1FDCF34483E51AA017DBED77360C9BBB79C181D691978A4E42448 |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/PQSformat.so |
FileSize | 41896 |
MD5 | 01FA3E0DFB098ED1B96A2157AD9C3D87 |
SHA-1 | 03BCB20DAEABBC1CAB7130A79541FBC3093F82B9 |
SHA-256 | 6121D7623AE2B4B460A7F61A47F1C52C20B240757F95ED795F32B52665734BBE |
SSDEEP | 768:u3PIa9CjD9siX5t4dGBvOnVvkIH84wwN:uwiCjD9lXzGOcVvR8f |
TLSH | T1B213E763BF45AF30CAD19F32445FA5A55B2F1C6BE2C18B03ED59960C5E26EC88DC2E44 |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/daltonformat.so |
FileSize | 37440 |
MD5 | B2C9EAEBA5D4ED192986A638DD430080 |
SHA-1 | 070DFDD702FA2ED42496295368A0427CE2AC87A2 |
SHA-256 | 5786C41A9ABDD8E5CAFD5295AEF4C89F6FC2415A38D7190239BD9E420746D39E |
SSDEEP | 768:tRNXu92ALY3C/2zZPlBUISlb7dJuFeDkNdMc:tXXu9tYS/21tBUIM7dseDk7 |
TLSH | T16EF2E852BF42AF39CDD6DF3348AFD5B5572E1CAB22904F03BD1DA2488E12EC94E52644 |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/MNAformat.so |
FileSize | 41672 |
MD5 | 5491638EBBAEBD19EC3FFE7188BAE5D6 |
SHA-1 | 0718074964D488CA034FC786A60E3A773CDD615C |
SHA-256 | B80E27C33D9663E8CBE5A43D5D0A04D6CB5CB8DE82EBB95DE32C7972BFF4E298 |
SSDEEP | 768:+FQAQf1hwnVa9wZwIV21YK8SvL632eTiR0ONHnnrBF:KFbY9UV21qx1iRn |
TLSH | T111131842AF096F32DEE5CF32442FE5761B2E1CAB73D50723FC6C4A085E56E8849626C5 |
Key | Value |
---|---|
CRC32 | CA76F417 |
FileName | ./usr/share/openbabel/2.4.1/atomtyp.txt |
FileSize | 10155 |
MD5 | 60C777DDCDDF90D0269AAF0263EDFE14 |
OpSystemCode | 362 |
ProductCode | 220927 |
RDS:package_id | 263834 |
SHA-1 | 082678951146C04915BF5201E55D22AFEBCC1E50 |
SHA-256 | 78E52637266CA914232A64F4979B03E0BC8BE0A91B7036EC38039F2876BE080A |
SHA-512 | D01C14BF240B05E455F28BC6CCBB265A25DE0F744418459800842C234C33D530CD6DED78E969866F7CDCDEC0817A0ADF2CE179D91CA7DB892B3FEC4FBB79A61F |
SSDEEP | 96:pc7oCWkdbttazfi6UzFNWiR+/zQX0OsjruaPyOM8RXfl9QGBCpv16uJVCXOwCdS6:CLNGzqvpNf2zES7DMel8tg9L+J/ |
SpecialCode | |
TLSH | T12522BD50685AB34E2337968BD51BD58451B8D72A8EEB049C382FC941837093BEFDD62F |
db | nsrl_modern_rds |
insert-timestamp | 1728201804.9759884 |
mimetype | text/plain |
source | snap:e24ZnOQOwOOS0gcGPsbGMxySRAk2oR8Y_105 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/painterformat.so |
FileSize | 33552 |
MD5 | 26BCA29B513FE470AA485A8165AFCCBD |
SHA-1 | 090B5C0F86585F694271420BC192448053D726D8 |
SHA-256 | E6FEA0B0CC15AAA78EAB41DC6ECE680176B051F7E4189B798EC5C2A4BEEBFB3F |
SSDEEP | 768:shyu+ougqUQM9mR4xNyvG8Bc1C6BBdKqt:ssu5ugqUQM9mCYvk |
TLSH | T1BFE2E963FB09BF27CED6CE36402FD574677E2CAA73A14727791893180D17E848E52688 |
Key | Value |
---|---|
CRC32 | 11A7344C |
FileName | ./usr/share/openbabel/2.4.1/plugindefines.txt |
FileSize | 2400 |
MD5 | EB8C0673C4975081B3F54AA1D5E51667 |
OpSystemCode | 362 |
ProductCode | 220927 |
RDS:package_id | 263834 |
SHA-1 | 0CE42ADC19C51C2BBF51E079E111809BEC138982 |
SHA-256 | 5E829D7D047D25B1CC764A2738004F866832408565AC1BE6E95F7CE750B98FB5 |
SHA-512 | B2C0AF2A8FCBA4B63A227C897E59649E1527688C7CEBE64BAAA55924BDDDEC5ABC1FB375AE63D218D0989832A2F62BBB4FD023A6019DAB31BCE3D8B505FE52A6 |
SSDEEP | 48:hvcPBqdY1EXhCmPTv+wymASm+XBMoqWBgXYlLjMBaf8xLkAw5:h0ZqdYyhC25zrxmIZzfl5 |
SpecialCode | |
TLSH | T1D54164012C01D2AF04C501E17FAFA345D764B72B1AC1589AF4FCC16527C3AF2E6B5B94 |
db | nsrl_modern_rds |
insert-timestamp | 1728201805.1190357 |
mimetype | text/plain |
source | snap:e24ZnOQOwOOS0gcGPsbGMxySRAk2oR8Y_105 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/fingerprintformat.so |
FileSize | 37128 |
MD5 | FE8DF747A72A4D35387083961236F8F5 |
SHA-1 | 0DB165C2EA1C08D0DC2B2151CD7F97EBBA2A6A6F |
SHA-256 | 9989B4D89304077DDA4FFAD1ED2B5F35259A1B767F23E2900C54098CD4779192 |
SSDEEP | 384:wJdJ4cYcsQQ9myjhaJFEDxZDtH3IcCKK4aJR4h8:8dJmOQ9mShmQHDtH3Ic4Z/48 |
TLSH | T157F2D717AF016F37DED8CE32846F92B2173F5C6B23E49703BD6C82045E12E894D66A85 |
Key | Value |
---|---|
FileName | ./usr/lib/openbabel/2.4.1/gulpformat.so |
FileSize | 37024 |
MD5 | B17568361518911CD3EA588F5FB9BF71 |
SHA-1 | 0F25A6EDFDD65EBD4AF11625FB4DC27A8B7F240C |
SHA-256 | B745365AEF7C15CB1FCC8C312AED55CC4CAAB67A3B1FB2D69FF9037DF272776C |
SSDEEP | 768:syyfIY7D1x390t1qTd93Vvi0IJL/EE70Ygy:s7Dz39QqTd93VvhIJL/EE70 |
TLSH | T1F1F2B622AF413F33DAEDCF33187E48A9463D1C9E62A05713AD1D97988823E4A5D1258A |