Package rdkit :: Package Chem :: Package ChemUtils :: Module TemplateExpand
[hide private]
[frames] | no frames]

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:
...