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.
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,
Last modified Mon Jan 29 12:33:00 2018