Key | Value |
---|---|
FileSize | 496988 |
MD5 | 248C68A48780715D4BC52102A141A104 |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 1766BB932DFB5126E60FD7D61191E8A2C2E0C52F |
SHA-256 | 8A1AF54A8D10EC0C33F99FA67595B461E0BC94BF1A8BBDD773A1E41A47C92C64 |
hashlookup:children-total | 19 |
hashlookup:trust | 50 |
The searched file hash includes 19 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/lib/python3/dist-packages/openbabel/_openbabel.cpython-39-arm-linux-gnueabi.so |
FileSize | 2428860 |
MD5 | 72B9EB6CFF82C98D133FDB137EED26D7 |
SHA-1 | 0F4B6C0FBB3D9EC214B0F8684FB3D67CC87755F2 |
SHA-256 | 933087AD2D2268B1F6A5CFB6301FF461E5DE7822D9E11DB5F03A4F09FBC3C6A2 |
SSDEEP | 49152:mXeCD4jp/HLCW2upENLrWLr9Lr4oPnQ1L7dL74L76L7pD0wD84DeRbqlL7iL7q8R:mXb4jpHLCW2upKN2 |
TLSH | T1EBB5E951F480EA62C6C9A77EB46F976E321395F5E2C62941C99A82302F73D7D0F27708 |
Key | Value |
---|---|
FileName | ./usr/share/doc-base/python3-openbabel-openbabel |
FileSize | 559 |
MD5 | 552D354B0C042F97BA4750C2B797EB85 |
SHA-1 | 172E5002C8E4A0726DB6CD6D13A77929AB7F1C34 |
SHA-256 | CB5FA41A646BC5FAA76C693947C657FD8848D6191FF839A7F838C36D3E8CAC79 |
SSDEEP | 12:BIpbhzKEZXK4Lv2A3hzKWAPk0LrA/9v3l9A7smDzKdRaWYKMflV/Iaa/Io:mhzKaXpLP3hzKWAPkgUFv7csszK+WYKX |
TLSH | T10BF0E123E180F1FAEB870D4A3ACF5AA51BC58CFC6641146B44BD81842F05A0F3DBC36A |
Key | Value |
---|---|
FileName | ./usr/lib64/python3.10/site-packages/openbabel/openbabel.py |
FileSize | 283096 |
MD5 | D7075993DE62C7B9DF408A92011B0AE7 |
SHA-1 | 22D4312F8A6CF2D2C71FCDA3A1C80DDD2EAF61E9 |
SHA-256 | 3A6905DB262B85836557FF2517C98B3021744188378468D162E88B8C8333B504 |
SSDEEP | 3072:r+8/3tutDdzbmPbklKr+zdcplSDljKIOD6dAUSK:q8/ktRzbmPbbr+zdcKDljK0SK |
TLSH | T11E54F102FFE1F012CC0BE746A4859AF936134CC5E8496C55BB6C91940F6AE2FFEC91A5 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
FileName | ./usr/share/doc-base/python3-openbabel-pybel |
FileSize | 559 |
MD5 | 901F90F87FFC09FBFEDB0D1ACA387D14 |
SHA-1 | 24E1FF1A92D7CC52D606760E6C243EB92A8E195E |
SHA-256 | 116A64A1702516AEC7BED8D55C910427DEA0F3932DA2B842CDE433AA59C4AFED |
SSDEEP | 12:BIpbhzKEZXK4Lv2A3hzKWAPk0LrA/9v3l9A7smDzKdRaWYKMflV/IiIa/IiK:mhzKaXpLP3hzKWAPkgUFv7csszK+WYKD |
TLSH | T1A9F0AC22D180E1B9EB8B094A36CF5BA61BC58CF86601105A44BDC1881B05A0E7DB826A |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/examples/minSimple.py |
FileSize | 1436 |
MD5 | C13001FF4C7F0421A1EBEDEAE0F8DEF9 |
SHA-1 | 28C3A4CF193243EFEC425C4E525F42EF2F3A1B64 |
SHA-256 | 53BB55B7068E43ED3BD81052CF2976D2133C22BC4CBD66ED51FC636C571E921B |
SSDEEP | 24:CRLHx+gYtgMGjz5gIMMzVM6tUmTZGSc2NE7ZVYEszuqLJspIF7VAt5jo7W:CRDx+XtgTamtPZrc2C7ntscpIFhU1o6 |
TLSH | T117215607E99B3A32F3023140A58735BC572FA8FC7D572D40C19E4095295177DBC66F91 |
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/python3-openbabel/examples/examples.py |
FileSize | 689 |
MD5 | 9191C11929DC61C823A96C2E7732044F |
SHA-1 | 4DA43A64E3682DF9C3F443F8F730091F3FD87975 |
SHA-256 | 549838744A582C306C834AB164EEA2AA38C15E8B703383FAE508BC791DEBBF8B |
SSDEEP | 12:1RjP0Xnfj5YXNK7RiLkjhRTYXMjnKJeNqWZzU8jHX3jMQXUB0d0r08o:1Rr9YiQYfG7oQEg0lo |
TLSH | T163018B53B4FEE43D90191FD6D59FA6E883679D2814FC3962930A04CACA1625F19316B1 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/Examples.html |
FileSize | 3249 |
MD5 | AB6E9B5DEA4B92BB435502A6C30D3FFF |
SHA-1 | 5B4E52CDD4B40F553E1DAAC50327CD55B082FE80 |
SHA-256 | ACAF6AF884B0A1ADC445EB1E194322112519073E7870AEF434CE4534E3FAC1CF |
SSDEEP | 48:Qm3G4/uZFMjKStWDJ8DpnJ8gU3XacQWrQEkgW0xs4lXBDv7FCeH46gg/l00HTyvY:ZG427DStK8Dd23XMWj7fXBT7URDs0mWA |
TLSH | T132616622F9D4F23FC1419B96E5DAC0610B57CF8862F439485A6D40C5960221F7DB57E7 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/copyright |
FileSize | 17605 |
MD5 | E40C7BBBEA95FC04DCC5DC820A090978 |
SHA-1 | 5BDAB0FB41D3854128475F76D935FEB081A9E0EB |
SHA-256 | 8BDFF9720D6BA37E04680A6B1CF167CBBB03E4EA5B349213C7798238ECCAD281 |
SSDEEP | 384:qMfbBd+hIGop3dbP9xb9Hb3HlMNoMN4tSQuMSthkZrs0rsxt5bRrSHtVZHU:q+bBd+hIGopxZHb3HlMNoMN4tSQuMStl |
TLSH | T1A682C60A2E4087BB3FD023D5394994DEE316739B322A5881704DD28A5F1B67A27F35E8 |