PS. As synchronisity would have it, one of my users needed to generate
an SVG from a smiles string (copied from CAS) today and got a "scrambled
egg" depiction similar to what I reported back in June ("Broken svg" posts).She then found a smiles -> sdf converter online (cactvs), generated an svg from resulting sdf, and got a decent picture. So it looks like for at least inchi and smi formats there's something wrong with pybel.readstring(...) -> mol.write( format = "svg", ... ) -- I get messed up depictions and even a segfault on D-alanine. Whereas pybel.readfile( "sdf", ... ) -> mol.write( format = "svg", ... ) works fine for the same molecules. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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