Hello Sara-- > I have original PDB crystal structures sharing some structural features and > on > that basis I want to extract an average structure which could serve as a > representative of all PDB structures. I recently installed xplor-nih and found > there should be a script named aveStruct.py for generating non-regularized > average structure, which is missing. However the input file aveStruct.inp is > present. Could you please elaborate a little how to use xplor for finding > average > structure from different crystal structures? I will be grateful for any help.
In a current, properly installed Xplor-NIH setup, there is a helper program bin/aveStruct which will produce an unregularized average structure given a list of input structures. Please try this, and let us know if you have problems. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
