Key | Value |
---|---|
FileSize | 555664 |
MD5 | 8A8FBEECE6B39EA029AED30533022F61 |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.0.0+dfsg-3ubuntu3 |
SHA-1 | 5401494C8A0FC189B46953C66F68B5AA7A869372 |
SHA-256 | BED097882A1685D5786E47789A06F4B09E21EC5D36989AFB76DEB317D9F74FF2 |
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/lib/python3/dist-packages/openbabel/_openbabel.cpython-38-x86_64-linux-gnu.so |
FileSize | 2709312 |
MD5 | 79D7C1465D1D691773037BE9085753B2 |
SHA-1 | 08816AA87748E1E801ED5D109E8EDCBBD7CD0A74 |
SHA-256 | 49A077DFCFA494B11C157DF121BB954CF240C2E1A6E40D2815E23D2057D37C20 |
SSDEEP | 49152:dUV2qd6zD0pitIqgZ85LrWLrtLrvoPnQNL7dL7YL76L7cL7QL7OL7aL7ejLwnP4F:dUV2mitIqgZ3t |
TLSH | T1A0C5F946E8E205EDCADED639416B8AB23220F4E153F13E2B5999E5300F97E351F2E750 |
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/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/copyright |
FileSize | 33658 |
MD5 | 489DB032286C4A140B51B3BCECDDC72C |
SHA-1 | 2EA457138FDC3DC4D3A326E7B9E2FB4A032D3EB2 |
SHA-256 | 19AC3D1F3C8EE11475F3B18B455CE0356FCAE22B2C9AEFBAEBFFED9F8994CCF5 |
SSDEEP | 768:TlbBtLd+hIGopxZHb3HlMNoMN4tSQuMSthwTuk66Nbi+GshB4NmDC5bRAZHU:xFtLd+hIGopxHb/iFnAGMD4RAU |
TLSH | T196E2E72E6B0103B31AD212D1364E94DFE32BA17D327B5950708DC199272B93653FB6F9 |
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/energy.py |
FileSize | 1180 |
MD5 | 0E882D812A6B7CEFB05E5E15FE893F63 |
SHA-1 | 4079E342650AB6230959809641E01636D7E732D6 |
SHA-256 | 6359C38AFA06D8641205F7E56E5E30FA523FB815EACD5D39BFE4DA4C048E11EE |
SSDEEP | 24:gy3+RJHx+gYtgMGjz5gIMMzVv8m0GStNE7ZVYEszuqLJspIFD6:gyuRFx+XtgTa/RrtC7ntscpIFD6 |
TLSH | T16E21F31BB9A63E71D3023340F04674A44B5B6CE82D533C40C25E40D52962F7DB967F99 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/examples/testpybel.py |
FileSize | 17385 |
MD5 | 098EE897EBB1099D9D765DBB575CAA29 |
SHA-1 | 7161514791054D89E89D62E46B29A14F8D3802A3 |
SHA-256 | 9676D7254F275A1C61CA450010DDBC53E5F08DD83E768695464E6B786F9067C2 |
SSDEEP | 384:ZqymVBJcnliMs/eevlq0grY1sgWA432rcxUt4Cedy1YgdM:Zqy4BJcnliMs/xlDgrYegWA62AjCedyM |
TLSH | T1DD720D26E2135D66B2479ABA844E754F1B1EAD1F440C043838BD03CEEF29439D6E6DF8 |
Key | Value |
---|---|
FileName | ./usr/lib/python3/dist-packages/openbabel/openbabel.py |
FileSize | 279964 |
MD5 | F81C3F2C2BF89BCC7534C511DFB5FDCE |
SHA-1 | 72E8BB713E4EE04A3EA523404F3FFE47D4DC5860 |
SHA-256 | D12A314CBC706055184B4745317CE7542BDB64227301072F9D293B1B4A2E58D8 |
SSDEEP | 3072:r+8/3tutJdzbmPbk1qzdcplFDljKBOD6dAUSK:q8/ktfzbmPbtzdctDljKNSK |
TLSH | T12254F002FFE1F012CC0BE746A4859AFA36134CC5E8496C55BB6C91940F6AE2FFEC9195 |
Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/examples/wgtRotorSrch.py |
FileSize | 1673 |
MD5 | 65DEC8B47B94FB98551119EE3CC33930 |
SHA-1 | 74C6EA9DEB25F2D0BE009C71B5EAAAFC2A1B7B2B |
SHA-256 | 3F7B20C490B289C047F170CB9B297C9FD6D0CF01C8CD90682381B74A1742734F |
SSDEEP | 48:0X5Fx+XtgTaUKtPZrc2C7ntscpIFWBP0s+Qy6+ttKnfv:aPxUgmUKZy2Gnts8IFWBP0s+Qy6+ttKn |
TLSH | T18831BA5BAA4E3D72D3023341A0CBB1B4931B94F8AD6FEC00C45D4059349163DF953B4E |