Key | Value |
---|---|
FileSize | 6011226 |
MD5 | 3F3C0A49FF30FFDC0BF1D13897629BF0 |
PackageDescription | Chemical toolbox library (documentation) 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 library documentation. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel-doc |
PackageSection | doc |
PackageVersion | 2.3.2+dfsg-3 |
SHA-1 | 38213B7A589128D4D56FBA0A8D74F84A89D8C8AA |
SHA-256 | 3FF595DA5E9F7D51E92E672703F1E3EB865EE5884E779F4651EA779742A9E723 |
hashlookup:children-total | 1577 |
hashlookup:trust | 50 |
The searched file hash includes 1577 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/conformersearch_8h__dep__incl.md5 |
FileSize | 32 |
MD5 | 9A4ED34D98A0F1C57AB103584E501C9B |
SHA-1 | 00244FE6AD9779AD3AB3533787A42DC19A4C3F57 |
SHA-256 | F595534E1140279566A2C56A3EC37DE9FA69FC3E3A76EA128497B958434B378C |
SSDEEP | 3:E2xSGQ2DZ:E10t |
TLSH |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/classOpenBabel_1_1OBIsomorphismMapper__inherit__graph.png |
FileSize | 4467 |
MD5 | 227A1C7F8C739593734BA8E5830B66C7 |
SHA-1 | 003F25EDC51785436BCEF1D6D4F53A39AA6386B7 |
SHA-256 | 7B00935EE8CC7A94246AD5CAAC5A0148DAC5EBF884F85C9CF7FD4622C0936B60 |
SSDEEP | 96:PZhFVsZZfdh4YnS4Csta3mNF/PxHCvroWo4FiE2aso+n:t+ZZfAmTPxMfFiUv+n |
TLSH | T1D9913AC2977CEEF29DDEA49B09E1C8BD81A76B50D81D0313618A4708139C13B60F8E6F |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/tetrahedral_8h__dep__incl.map |
FileSize | 738 |
MD5 | E0866A271A83C5B3746794608F382F7D |
SHA-1 | 003F728073D8BC04E8247CCBBD94802A61359814 |
SHA-256 | 1BF0A9010CFFEC6241C049A3ABF06B2DE460D32CC6E972D3E059279424EB0C1B |
SSDEEP | 12:r4zzTmziVTRGj5uMz+OTansRYcJjp6XfTTKSsFtU8T++hPx:rWz4iVtGduMqO+n0YY18fTQFtF1 |
TLSH | T1DC01CB8B67284F2E7C0D05E4E2FC6D43F9914AA07B5C0E90F4D492394D927B0D62A749 |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/classOpenBabel_1_1OBTorsion.shtml |
FileSize | 35736 |
MD5 | 10A7DDF93E075215F3BD43616A5AF1B6 |
SHA-1 | 00BA1FE422E7C20A77564F5D94962D9C47674A42 |
SHA-256 | 4EF738FEFCDF40DD56ED43A301A144A939617A672F902542BA450848330E073A |
SSDEEP | 384:QEoQu988Xu8ih7oPMTJjKXu8iQv2DiQtHVDiQyRErXyea2Q0AE:QouC7bT1DQEBAE |
TLSH | T1E3F23224E8E21372CAD771D693977F7235D10492D2813945F9FEAADA0F08EA8D65B00F |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/classOpenBabel_1_1OBPainter__inherit__graph.png |
FileSize | 3421 |
MD5 | 3EDB3F90E60C64F036855E737473AFB2 |
SHA-1 | 00BFBA788DB4F81342D856335A187D13C51F7E0B |
SHA-256 | EAC43F29B8A289A5A310758D0E91798B6F0136D35EED910DD08B1F13479FDC6E |
SSDEEP | 96:9kNC9/UXD6+1ouPo9cUutu86zHi5l2XdO2adiXqf:9uND6+1K9cU4IzHimNvadhf |
TLSH | T18B614D6FFE26065C08951FB60DD04851F6A456A536F8ACDF8C52D01E58C0222D07D3AD |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/namespacestd.shtml |
FileSize | 21383 |
MD5 | D69644D6245C73149D2C15DD4E406701 |
SHA-1 | 00D7336140984CA310D0E785EC361101D0348308 |
SHA-256 | A5CD6406CAAF0FA68E0EB8A376DDF9E53BA6681CF72E2203D8790C5D3067DADE |
SSDEEP | 96:5N+NqAlBYOMmk+toIDlwB0RTTlMwVh0hJhRpMhahshBhGhwhHhjhFh4hIMhXMhfk:rOTlNQpU4mdPb7Nn37dw |
TLSH | T1CCA204A641D296B34CE231DBD19ABEB061D544A5C3E01014BCFF2AAB8785DECD3B611F |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/shared__ptr_8h__dep__incl.map |
FileSize | 876 |
MD5 | 12B075CF1A66D827010A363EA5AAF2A5 |
SHA-1 | 00DF55D54652907D0A3B178690B31DA3C298CE99 |
SHA-256 | 123FDB01294B6523BC5692052E30518E73C30896B951D7A8503E4A58C995A862 |
SSDEEP | 12:r4zzTmAmLkgqFW6V5UVTjo3bD4VTImLkgqFW6V5pGAWTansbZmKGQU3bWTm75G4v:rWzlmE5Qo3kUmE58j+namK46y7evE |
TLSH | T1E8112916A2306E76AC0F04F462CC9D13AA53AB6063C80F41B4C4A6289C9679CE62A21F |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/classOpenBabel_1_1OBOrbitalData.shtml |
FileSize | 43672 |
MD5 | 58FA01D134EE1D032B0E7928B6135081 |
SHA-1 | 011C12B3FF159E0EC5BAAAAC59F791DADE1AC896 |
SHA-256 | FC581292EB94ED2942377B743ECC3856ED958D811D8A204E73EA361E2B13FD36 |
SSDEEP | 384:HEij6uW1Ac0CiYp6yaCX5A35iQ835iQG3liQAeUxTAIUOfBPOCarE:Hh6uW11p6yp5fREE |
TLSH | T1F313532498E2127BCAC320CA9757AF72B6C109A6E3C11451FCFDA7964B05ED8E72741F |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/mol_8h__dep__incl.png |
FileSize | 197862 |
MD5 | C79692FBA2699B6585436BE3F8DFE306 |
SHA-1 | 01A95588B05BD64193012315B9231E9BC9EF9DFB |
SHA-256 | 2F7C6A4CBDF0ED230481ABD1893CB56AE52AD8CD9FE7E53466003FC78CED87CB |
SSDEEP | 6144:iXoD/rzzRmEJ4Zw0/cZZanJ9FGtDbKpmj5s:YK3BuZw0uO/FoXRj5s |
TLSH | T1981412E93235C969CF8BD63C60E8AF5B1A27ECD463C14125CB17832CFDE9C60464789A |
Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-doc/html/namespacemembers_0x74.shtml |
FileSize | 11585 |
MD5 | C59AD8EC36AE702279AD2E2FB0D84FE5 |
SHA-1 | 01B2CC8892C09351AC21119FD9755C081CE1B079 |
SHA-256 | 2C18DF8B8C7BAE9A9E98CBC5A417B02FF23B1B7C6540C6FB9299F2797BC989BC |
SSDEEP | 192:c3TsN9/0kj7rWk05N++pwsEf3B5EbnZHMdD:i3krWk0HGsCEbZHMd |
TLSH | T10C32EC1054A3802A83F7528B6DEFAB7434C314DAD3481A26BAEC8D6E67C6F467D1741F |