Use of NCS in Protein Structure Refinement

Gerard 'CD' Kleywegt GERARD at XRAY.BMC.UU.SE
Thu Oct 19 12:40:09 EST 1995

For those interested in the use of non-crystallographic
symmetry in protein structure refinement, I have put a
preprint of a paper on the WorldWideWeb.

Point your browser to:

Or got to and follow the links.

The paper deals with three aspects of NCS and refinement:
 o  methods to assess differences between NCS-related
    molecules (other than RMSDs)
 o  application of these to a set of several hundred
    structures in the PDB
 o  implications for X-ray refinement in the presence
    of non-crystallographic symmetry

The "Quality DataBase" mentioned in the paper (containing
quality and validation statistics for 476 structures from
the PDB), as well as the SGI version of a program to query
this database, are available to anyone interested via
anonymous ftp from, directory pub/qdb.

--Gerard Kleywegt
  BMC, Uppsala

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