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Re: [ccp4bb] Extraction of test set from CNS reflection file |
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CCP4bb navigationCCP4bb <-- 2007 <-- March 2007 <-- 01 March 2007Subject: Re: Extraction of test set from CNS reflection file From: brunger {- at -} STANFORD {- dot -} EDU Date: 2007-03-01 data sets, so it won't delete reflections from one data set that are not present in the other data set. Once you have done the "merge.inp" script, you can use the "make_cv" script to extend your test set while keeping your original test set selection. If you continue to have trouble, please contact me directly with more details. Axel Brunger Florian Brückner wrote: > 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. > -- Axel T. Brunger Investigator, Howard Hughes Medical Institute Professor of Molecular and Cellular Physiology Stanford University Web: http://atb.slac.stanford.edu Email: brunger@stanford.edu Phone: +1 650-736-1031 Fax: +1 650-745-1463 CCP4bb navigationCCP4bb <-- 2007 <-- March 2007 <-- 01 March 2007 |
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