Egon, In the course of testing before checking I observed that samples/estron.cml is writing error messages to the jmol console.
I suspect that it is part of the conversion to the cdk base classes, so you are probably already be aware of the issue. The messages are: Not adding charge for atom # and Error configuration of atom: SYMBOL Actually, I just saw that it happens for many (all?) of the g##.out files too ... Miguel ------------------------------------------------------- This sf.net email is sponsored by:ThinkGeek Welcome to geek heaven. http://thinkgeek.com/sf _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
