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RE: [ccp4bb]: stucture factor calculation
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please, folks, let's not go back to the dark ages and start "fixing" models by
fiddling with individual phi and psi torsion angles ! this doesn't fix any
real problems - if anything, it hides them. instead, read up on validation and
rebuilding and refinement practice before you start, e.g.:
- review paper (2000; with many references to the primary literature) -
http://xray.bmc.uu.se/cgi-bin/gerard/reprint_mailer.pl?pref=56
- paper about rebuilding (preprint of 1997 Methods Enzymol chapter) -
http://xray.bmc.uu.se/gerard/gmrp/gmrp.html
- web-based validation tutorial -
http://xray.bmc.uu.se/gerard/embo2001/modval/index.html
--dvd
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Gerard J. Kleywegt
[Research Fellow of the Royal Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:gerard@xray.bmc.uu.se
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