Hi,
Following up on the 2012 discussion about substructure highlighting using the
ruby wrapper:
http://sourceforge.net/p/openbabel/mailman/openbabel-discuss/thread/5023e50c.5040...@gaseq.co.uk/
... I'm desperately trying to get it working:
c=OpenBabel::OBConversion.new
c.set_out_format 'svg'
c.set_in_format 'mol'
c.set_options 'a t d', OpenBabel::OBConversion::OUTOPTIONS
c.add_option 's', OpenBabel::OBConversion::GENOPTIONS, "C red"
m=OpenBabel::OBMol.new
c.read_string m, self.molfile
m.do_transformations c.get_options(OpenBabel::OBConversion::GENOPTIONS), c
c.write_string(m, false)
I realized that "DoTransformations" requires a pointer in the original C
implementation, and maybe not the OBConversion object.
Is there a way to use the highlight transformation / conversion?
Dominic
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