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 %s" % _version`
| _usage = ``...``
| nDumped = `0`

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

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:
      ...