Hello Eliane-- > Good morning, the magazine in which I submitted my article asks me to fill in > a > table, called structure statistics (Violations (mean and sd), with values of: > Distance constraints (Å), Dihedral angle constraints violation, max. distance > constraint violation (Å), where can I get this data?
For a calculated set of structures using the standard scripts (e.g. eginput/gb1_rdc/refine.py in the Xplor-NIH distribution or those in https://nmr.cit.nih.gov/xplor-nih/methodsMolBiol/) these values are printed in the .stats file. best regards-- Charles _______________________________________________ Xplor-nih mailing list Xploremail@example.com https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih