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 http://onyx.bmc.uu.se/ 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 rigel.bmc.uu.se, directory pub/qdb.
More information about the X-plor