> Eric wrote: >> I think Jmol should ignore crystal cell data when EXPDTA is NMR. > > Very good. > I was not familiar with the EXPDTA record. > That is the correct criteria to use. >
This bug has been fixed. When the EXPDTA record starts with a description that says "nmr" (case insensitive) then the CRYST1 and SCALEn records are effectively discarded ... no unitcell data is available. Miguel ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
