Key | Value |
---|---|
FileSize | 717588 |
MD5 | 3D33EB32B29C9499175FF88D87B31DB5 |
PackageDescription | Chemical toolbox library (python bindings) 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 Python binding. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 754AB25A27F4BC82C259F1F6B21E070EC4D726FA |
SHA-256 | A96BE73B413922A77762CEACDDB75BF6F93CCB7A3948FDCEC782446C90C37EFF |
hashlookup:children-total | 20 |
hashlookup:trust | 50 |
The searched file hash includes 20 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/examples/testpybel.py |
FileSize | 17067 |
MD5 | 8CAE9007BF0A35C3EBBCB1F6C3027FA7 |
SHA-1 | 0B9A82450E5B6CE66CBA1B9F4A0D84716263EABD |
SHA-256 | 5EC138757D8AE6164BC83F840B38A03DD743EF0D595F2B075F388E6212893C73 |
SSDEEP | 384:ZGymVBZcnliMq6z+v/q0grY1sgWQY3Xrcl/UkLg4pady1MgdM:ZGy4BZcnliMq6o/DgrYegWQaXAlDLZpY |
TLSH | T117722D26E2135D66B2579ABA844E750F1B1EAD1F040D143838BD03CEEF29439D6E6DF8 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/copyright |
FileSize | 12210 |
MD5 | 671E494037A190691DB732DD018226C6 |
SHA-1 | 1E28C421A071EFFCF7676E5C3984C7686A986109 |
SHA-256 | 46518C899A042FF6D2C9D00D8EDDDE6C5D040B62B286765A3879C6DAC3F7AD96 |
SSDEEP | 192:8l1B6d/RoIQ9h0QHnrRHb3HEMN4tSQuMSRR:EB6d/RoIQ9h0srRHb3HEMN4tSQuMSRR |
TLSH | T10F42C40E3D40C77B3AD023E1390950DEE327779B726D9491B04EC28A9B0AA7613F75E8 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/examples/hashizume.cif |
FileSize | 269694 |
MD5 | E497085FE7FBA4FEBFE51931BC75A3B4 |
SHA-1 | 3C3545B14433AD2B9B49DA70E03316A61F18A3DF |
SHA-256 | 296D20FA9CDD25C70D40B2CA0C4AD0A7C17B4972C19217745E7664C216247384 |
SSDEEP | 3072:EmlIQF8Ui95XDmXVP23yvUZkkfK0+0y7EV1aL1ykDdD7GDOphYy52rWJXq/CS/nX:HsDSzC |
TLSH | T1364491E15E1D03E45B0DE863973A84605E276F1318D0CEB5FE4EC5998FADF688AD2902 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/pybelapi.html |
FileSize | 34343 |
MD5 | A5DDCD1FA012517CBDA8C0F9294A7BE2 |
SHA-1 | 3CF7A6D3C24F674857B39CB4B3960D487C4E8590 |
SHA-256 | 4241D2A6C15F2C15C642F6B306FCB96EDDC244097C7273EF81EB32E2773C79C5 |
SSDEEP | 384:Xgqd7hIxzfPXiSZyC2aXuAaBvIMSI7UU030z3TUNPc4E:Qqd7hcj/T2RBvIQoU03y3TUZcz |
TLSH | T1BBF24282D19029A9BA6B84ADF4582FDF9D2810EDB0C163C1BCBCDA6605CF5DC50B6DD3 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/examples/examples.py |
FileSize | 626 |
MD5 | 3B6B49EDCED29475703AC8BBA00684BF |
SHA-1 | 4534F8B8E907FA68C8C81A5BF7CFE70F8DEFC0D0 |
SHA-256 | 4B8C263A80CB4579D77551444CFCA54432453ECBD42C4081456A0BC3445F4967 |
SSDEEP | 12:EnFF5JBUK7RiLcFhRTJjFrNqWZzUEFINAFMxRB0d0r08o:qsYiwh5RdMA6Tg0lo |
TLSH | T1E3F02863F8F8E03D90056FE1F6CAE4988B67DD2850FC3926970A44C9CA0601F25316F2 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/examples/energy.py |
FileSize | 1142 |
MD5 | A289390CC9E8A1D951F8E9D41CD8D422 |
SHA-1 | 541C9852C7A8FD2B918434B2D55B264F2D9DAB0C |
SHA-256 | 17972330BEF3470919CB54E4A5561DE1A128686C4BD0343E71AD969B63034FF6 |
SSDEEP | 24:gy3+tHx+gYF5dMGjz5gIMMzoRv8m0GS1mIE7ZVYEszuYRLJspa9Dzg6:gyuxx+XF5dTaTuRr1mT7ntsQpa9D86 |
TLSH | T10C21120BB9A62972D3023700E08570944B1EACE82D533C00C25E90D53661F79B8B6F89 |
Key | Value |
---|---|
FileName | ./usr/lib/python2.7/dist-packages/_openbabel.so |
FileSize | 2913212 |
MD5 | 53EBC063E3F2D55877EE8D4FAF39F2EE |
SHA-1 | 5C3870CDEE80387CF5C5400EDA27B2332043FE26 |
SHA-256 | F0437E2EFC26389F95C9E8BFE1E276CDC1A76EE624BB5A24E30F287CF6367683 |
SSDEEP | 49152:7FIzoDgr4KLuQ1oObxiufBLWADfGgLcLcL6LhLELbLEvT93kl3xT5iZ19R96dfGL:B2oDgr4KLuQ1TyN |
TLSH | T1ECD5F955E8D0A7A2C9CD577EB0AFA6957303E9F8F1C52A81D9A951301BB3C3E4F1620C |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/examples/minSimple.py |
FileSize | 1384 |
MD5 | 12DA28E1FC983092FD214E373BCE5481 |
SHA-1 | 5D1A5E8B0286E9EB0B02BAEAADD68A58F00F456C |
SHA-256 | 1DF3C972670F3A03C76998FD1CBF15191AAFCBDED9B949E9ACC1DB83ABA663ED |
SSDEEP | 24:CtHx+gYF5dMGjz5gIMMzoR86tUmTZGSfE7ZVYEszuYRLJspa9D+VAt5jo7W:Cxx+XF5dTaTRtPZrs7ntsQpa9D6U1o6 |
TLSH | T190214207A99B2A77F3023200A9C674EC971EE8FC7D532E00C1AE90952551B7DB8B6BD1 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/examples/dalke_test.py |
FileSize | 46858 |
MD5 | A66123ADB040E017C523C3C5494DB45F |
SHA-1 | 66EDA55F2B6FD77B17B127B32145186F91851094 |
SHA-256 | 7FD198FA8369CAA1B85D6FB7B6A0B3FE96EF7E80002CDCAF4E9816D17CAD3FBD |
SSDEEP | 768:Nt3HZ4gZkD2mk439JQ94g0AKb7tKHVVC5JYv0F67mmaV1l1:v3HZ4gZ22mk439JQ94g0AKb7tKHVw5G0 |
TLSH | T13523EEB195860DA1A727AEFA584F644B1F1F5D97480C2028F07E425D3FA2874C6DBCFA |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/changelog.Debian.gz |
FileSize | 6758 |
MD5 | E25CC0EFD00952BF22494C3A86DBE04A |
SHA-1 | 788F918803A5A6A4B18E8B3CE449A4932B2D0F2F |
SHA-256 | 1A3AE680F16E58A209339FF4508C6B096386EBF92702933489C13DFBFB934B72 |
SSDEEP | 192:Qkkvdzi4zjcpvHG1pbynuCSfW0NjMr84Hjm:jQdzvpbuTSuucfHjm |
TLSH | T1ECD17CE3E00696EBFAA31CE132C140986452231B915BAA6382DFF4CED955DFDA236181 |