On 11/02/2018 07:59 AM, Eric Jonas wrote: > Hello! I'm trying to figure out if there's any known or sane way to > automatically plot numerical values adjacent to atoms using the rdkit > drawing machinery. Ideally I'd like to annotate certain atoms > programmatically with values.
This draws atom labels:
op = dr.drawOptions()
for i in range( self._mol.GetNumAtoms() ) :
op.atomLabels[i] = self._mol.GetAtomWithIdx( i ).GetSymbol() +
str( (i + 1) )
HTH,
--
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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