On May 26, 2010, at 10:53 AM, Konstantin Tokarev wrote: >> For example, some code just checks for the number of bonds to an >> atom. This would cause problems with "extra" valence. > > Do you mean it can cause errors? or this extra valence will be ignored?
I suspect it will cause errors. My wording was intentionally vague -- there are no tests for this. However, hydrogen bonds and bond orders of 0 will be explicit in MolCore / OB3. Cheers, -Geoff ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
