Chem.ChemUtils.TemplateExpand

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) | source code
Explode(template, sidechains, outF, autoNames=True) | 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 = ``'``0.7.1``'``
| _greet = ``'``This is TemplateExpand version 0.7.1``'``
| _usage = ``'``\nUsage: TemplateExpand [options] template <sidechai``...``
| nDumped = `0`

Variables Details | [hide private]

  ### _usage Value:
      '''
      Usage: TemplateExpand [options] template <sidechains>

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

       Each sidechain entry should be:
      ...