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[ccp4bb] Extraction of test set from CNS reflection file |
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CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: Extraction of test set from CNS reflection file From: brueck {- at -} LMB {- dot -} UNI-MUENCHEN {- dot -} DE Date: 2007-03-01 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. -- ------------------------------------------------------------------------------------- Florian Brueckner AG Cramer Gene Center Feodor-Lynen-Str. 25 D-81377 Muenchen Germany Fon: +49 89 2180-76955 Fax: +49 89 2180-76999 CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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