Dear colleagues,
I have a dataset form a protein-ligand complex. I want to use the same
Rfree test set for refinement as used for the protein alone. How can I
extract the test set from the CNS reflection file of the protein-alone
dataset (created with make_cv) to use it with the protein-ligand data. I
tried CNS program "merge" but obviouly reflections which are missing in
the protein-alone reflection file (because they were rejected during
scaling) are also eliminated in the merged output file. This way I am
loosing some of the data. Does anyone have a better idea?
Thanks,
Florian.
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Florian Brueckner
AG Cramer
Gene Center
Feodor-Lynen-Str. 25
D-81377 Muenchen
Germany
Fon: +49 89 2180-76955
Fax: +49 89 2180-76999
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