Key | Value |
---|---|
FileSize | 624810 |
MD5 | 63585F3187B1265379E1A8A1EAC26E3F |
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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-1.1 |
SHA-1 | 1C90D343FA28DE162D7446696E427327BB8D48A1 |
SHA-256 | 1EB86899793661EA99B5D9D8F1E444983CDF88C88CF337825271539B94437E31 |
hashlookup:children-total | 18 |
hashlookup:trust | 50 |
The searched file hash includes 18 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/lib/python2.7/dist-packages/_openbabel.so |
FileSize | 3172616 |
MD5 | 54FA187FC6EC43A7FFFC3136809C945D |
SHA-1 | 4B98209EFB35D155F7D7A120DDD7B1387C009E77 |
SHA-256 | 0AD8A8DDD26A87FC0EB9E7952DD0EF7817D3591073D80AECE52E40F5189ED584 |
SSDEEP | 49152:VBdOwogkGJShG1Wbx5Q9tTznTEgs6CaNjMtHRSBL7F2OAf2SLcLcL6LhLELbL0/z:Vshzw/ot6j |
TLSH | T103E51845D8E1499EC6EEC779807B46B63600F8E093F22A6B55FAA4300B63F350F5B794 |
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/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/python3-openbabel/examples/head.sdf |
FileSize | 4316 |
MD5 | 2F6F90DAB3C314DCAA98A38176AFCACB |
SHA-1 | 7ED4EA4C6ADE0A1B9F780CF2C261349FEE0965BA |
SHA-256 | 7E0333BFE68DC7DC3E9911E06E78A1AEEF10DCB066E583B64A2504CF506DC02F |
SSDEEP | 48:hb1I8vCsws7vUIQJEXCrnkkicaObYQUaSyjBEVGkB3AIU5a:cs89E8nkUyQbSyAGkBo5a |
TLSH | T12C917CD32A5D514DA13DE5BF1A33145A033CA1121AA72D5AF19D3FC0DF35A149F9D00B |