Hello Adedolapo-- > Thanks. If I'm going to use the initial structure as a restraint, is > that what > this line you mentioned does? potList.append( refRMSD )
Correct. > > Also, I thought using Talosn restraints would have helped with the proper > folding of the structure as well. I had these line in the script but > only the helices are formed during structure calculations TalosN restraints generally do not help with global fold, bu do help getting local structure. For the global fold, nonlocal (in sequence) distance restraints or some other global information is necessary. Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
