Package Chem :: Package ChemUtils :: Module TemplateExpand

Module TemplateExpand

Functions

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

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:
...