>>Do you have any recommendations as to how we can address this problem? >> >> > this mostly addresses nucleotidic HET groups (large HET) > http://www.rcsb.org/pdb/docs/format/pdbguide2.2/part_62.html > ' - In large het groups it sometimes is not possible to follow the > convention ...' > so if there is a > select hetero and nucleic > the N,A,B which confused element detection (and are part of all atom > names) must be striped off.
Two critical phrases in this page are: "The element symbol is always present on each ATOM record" and "For example, a hydrogen named HG11 in columns 13 - 16 is differentiated from a mercury atom by the element symbol in columns 77 - 78." > and element composition is mentioned in FORMUL record! > http://www.rcsb.org/pdb/docs/format/pdbguide2.2/part_41.html I did not understand this page. Miguel ------------------------------------------------------- This SF.Net email is sponsored by: GNOME Foundation Hackers Unite! GUADEC: The world's #1 Open Source Desktop Event. GNOME Users and Developers European Conference, 28-30th June in Norway http://2004/guadec.org _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
