Hi, For your second question, I would suggest the program FindFam from Prof. Chazin's lab. It is described in JA Smith et. al., Magn. Reson. Chem., 34, S147-S155 (1996). From the README file: "FindFam was created to help understand the intrinsic variability of the average pairwise RMSD of a structural ensemble as a function of the number of members of the ensemble that were selected from the total available pool of structures." The program can be obtained by contacting the Chazin lab directly.
Doug On Oct 19, 2007, at 6:14 PM, Andrew Severin wrote: > Hello everyone, > > I was wondering what scripts are typically used when you are > close to finishing the structure calculation. I am currently using > refine.py and it outputs an ave.pdb file. I also have found a non- > python script average.inp in analyze_sry folder in eginput of the > xplor-nih main folder. I am looking for a protocol or method for > determining the final set of structures when you are very close. > Also, how many structures are typically done in the final structure > calculation? 100? 200? Of that what percent is acceptable to > submit as a final cluster 20%, 10%? > > thanks in advance, > > > Andrew Severin > Graduate Student > Iowa State University > _______________________________________________ > Xplor-nih mailing list > Xplor-nih at nmr.cit.nih.gov > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
