> >> I make a mistake with the first 10 positions:-( >> and the naming of N looks strange " N A" though the N is on the right >> position. >> and HEM546.O1A is identified as oxygen by Jmol, which is correct > > This is the key to the answer. > > This formula spans two lines. This is the first time that I have ever seen > a formula that took more than one line. The code is only taking the second > FORMUL record for HEM ...
OK, I fixed this. It is checked in as 10pre11k This is now treated as a continuation of a FORMUL for the same group. Any additional elements found in other FORMUL records are added to the element set for that group. Miguel ------------------------------------------------------- This SF.Net email is sponsored by BEA Weblogic Workshop FREE Java Enterprise J2EE developer tools! Get your free copy of BEA WebLogic Workshop 8.1 today. http://ads.osdn.com/?ad_id=4721&alloc_id=10040&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
