CNS: Molecular Replacement

Mitchell Guss M.Guss at biochem.usyd.edu.au
Fri Mar 24 19:17:47 EST 2000


I am using cns version 1.0 on what should be a simple molecular
replacement problem.  When I run the cross_rotation.inp script I get the
following error if I try to do a "direct" search rather than the
"fastdirect" search or if I try to use a finer grid than the default in
the fast search.

The error is "MAKTHE error encountered: NR > MAXNR fatal coding error"

I looked at the code but don't see what I should do to rectify the
problem other than by giving smaller rotation ranges which is not really
desirable.

Any help will be gratefully appreciated,

Also is there a script for doing a simple packing search with no X-ray
terms as I used to in X-PLOR?






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