[ccp4bb]: Idealizing secondary structure

[rlucas@uci.edu]

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It seems the consensus is that it is a poor idea to impose secondary
structure on a hypothetical model but I have a situation where it seems
appropriate.

I have a 4A plant virus dataset. It was phased using another plant
virus that had clear beta sheets and alpha helices. In the process
of refining the structure these secondary structure elements have
gotten worse while the R and Free R have been getting better.
I believe that since the data is only at 4A there is too much free play.

Right now I'm looking at trying to manually repair the phi/psi angles in

O and fixing the backbone atoms after that in order to maintain the
secondary structure. This looks to be painfully laborious and if anyone
has a better idea as to how to accomplish this I would love to hear it.

Robert
     /)    Department of Molecular Biology & Biochemistry    (\
    / )University of California Irvine, Irvine, CA 92697-3900( \
  _( (    Phone: (949) 824-1933, FAX (949) 824-1954           ) )_
(((\ \  Email rlucas@uci.edu  http://www.ags.uci.edu/~rlucas  / /)))
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