Package rdkit :: Package Chem :: Package ChemUtils :: Module TemplateExpand
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Module TemplateExpand

source code

Functions [hide private]
Usage() source code
_exploder(mol, depth, sidechains, core, chainIndices, autoNames=True, templateName='', resetCounter=True, do3D=False, useTethers=False) source code
Explode(template, sidechains, outF, autoNames=True, do3D=False, useTethers=False) source code
MoveDummyNeighborsToBeginning(mol, useAll=False) source code
ConstructSidechains(suppl, sma=None, replace=True, useAll=False) source code
Variables [hide private]
  logger = logging.logger()
  _version = '0.8.0'
  _greet = 'This is TemplateExpand version 0.8.0'
  _usage = '\nUsage: TemplateExpand [options] template <sidechai...
  nDumped = 0
  __package__ = 'rdkit.Chem.ChemUtils'

Imports: logging, Chem, Crippen, AllChem, AlignDepict, sys

Variables Details [hide private]


Usage: TemplateExpand [options] template <sidechains>

 Unless otherwise indicated, the template and sidechains are assumed t\
o be

 Each sidechain entry should be: