I've seen this before too - I believe in .mol files output from Spartan.
*********************************************** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 [email protected] *********************************************** On Dec 1, 2009, at 1:48 PM, Angel Herráez wrote: > This happens at times with pdb files that have the wrong position of > atom IDs (typically, > shifted by one column position). Jmol does not identify the element, > then makes it unknown, > with is colored pink and sized as a smallish sphere. > Don't know how the NWChem specifies the element, but looks a similar > problem. The file > open parser is the likely culprit (well, it really is the file > writer). > > > ------------------------------------------------------------------------------ > Join us December 9, 2009 for the Red Hat Virtual Experience, > a free event focused on virtualization and cloud computing. > Attend in-depth sessions from your desk. Your couch. Anywhere. > http://p.sf.net/sfu/redhat-sfdev2dev > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ Join us December 9, 2009 for the Red Hat Virtual Experience, a free event focused on virtualization and cloud computing. Attend in-depth sessions from your desk. Your couch. Anywhere. http://p.sf.net/sfu/redhat-sfdev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
