Find most average NMR structure


Selects from among the structures in an NMR ensemble the one closest to the average


Actually, I am not entirely sure that the server does exactly what the title suggests. What is done is that all pairwise superpositions are determined between all ensemble members. For each pair the RMS displacement of all alpha carbons in proteins and the phosphates in nucleic acids is detemined. Per member of the ensemble the average of these RMS displacements is determined and listed.
The ensemble member with the lowest average RMS is called the best ensemble member.

This option cannot deal with really very big PDB files, so if this option fails, first check with the List a File server in the Administration section if this file actually can be handled with WHAT IF.

Either Choose a pdb-file,
Or Choose your own file

List of per-ensemble-member RMS averages If you have detected any error, or have any question or suggestion, please send an Email to Gert Vriend.
Roland Krause, Maarten L Hekkelman, Jens E Nielsen, Gert Vriend.

Last modified Mon Jan 29 12:33:00 2018