Hi Geoff, > the rxn output is interpreting the SMILES differently than you'd expect. I'm not sure I follow. I'm not mixing rxn and SMILES. In the first case, it was CDX input and RXN output and, in the second case, it was CDX input and SMILES output.
In any case, the output "Reading 0x100319860 Done reading 0x100319860" is produced by chemdrawcdx.cpp (which is the CDX reader). Just counting the number of 'reading/done reading' pairs shows that the reader is only reading twice for rxn output and three times for SMILES. -- A. Heifets http://www.cs.toronto.edu/~aheifets/ ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
