Re: [OpenBabel-Devel] highlight substructures with pybel

2013-07-08 Thread david.lagorce
Thanks Geoff... but I still have problem...I tried in svg and png and I have this message: == *** Open Babel Warning in PNG Format Embedding in InChI format. Use the -xO (uppercase O) option for a different format == *** Open Babel Warning

Re: [OpenBabel-Devel] highlight substructures with pybel

2013-07-08 Thread Noel O'Boyle
We added --highlight to provide this functionality. This is an operation, and is used as follows: import pybel mol = pybel.readstring(smi, CC(=O)Cl) highlighter = pybel._operations[highlight] highlighter.Do(mol.OBMol, C(=O) green) mol.write(svg, tmp.svg, opt={u:None, C:None}, overwrite=True)