Hello Leonidas-- > > after successfully refined crystal structure based on RDCs and > dihedral angles by refine.py script, i would like to ask if there is > any script available if want to calculate a complex structure. I > have the refined protein structure (bound), the bound conformation > of a peptide and intermolecular NOEs (both ambiguous and > unambiguous). Is dock_tor_rigid.py script what I am looking for?
I would suggest instead working from eginput/relaxRatio/dock.py in the Xplor-NIH distribution, adding and switching out terms as necessary. This later script is a bit more modern than dock_tor_rigid.py best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
