Searched defs:symmRadius (Results 1 – 1 of 1) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/rdkit/Chem/ |
| H A D | TorsionFingerprints.py | 204 def CalculateTorsionLists(mol, maxDev='equal', symmRadius=2, ignoreColinearBonds=True): argument
534 def GetTFDBetweenConformers(mol, confIds1, confIds2, useWeights=True, maxDev='equal', symmRadius=2, argument
575 symmRadius=2, ignoreColinearBonds=True): argument
615 def GetTFDMatrix(mol, useWeights=True, maxDev='equal', symmRadius=2, ignoreColinearBonds=True): argument
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