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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 But (as for any other ccp4 program) that particular command can be added from the ccp4i by selecting 'Run&View Com File" when running sftools and typing it in the script window. Useful to keep things tidy for a project. I have a related question: how this procedure (thin resolution shells) compares to select a subset of reflections for the test set and then, knowing the NCS operators, extend the test set by including their NCS-related reflections? Cheers, Miguel PS: A happy new year to all of you! En/na Dean Madden ha escrit: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Actually, one can use SFTOOLS, which is part of CCP4. However, the > selection of a test set can only be done using the stand-alone version > of the program. The "RFREE frac SHELL" command is not currently > available through ccp4i. > > Dean > > Jan Abendroth wrote: > >> >>> A way to avoid biasing Rfree values is to choose the test set in thin >>> resolution shells whenever NCS is present. Currently, this precaution >>> is often ignored. It should become a de facto standard for >>> publication of structures containing NCS. >>> >>> >> Hi all, >> btw - it would be fantastic and certainly would encourage us to use it >> more often if the assignment of free reflections in resolution shells >> was incorporated in a ccp4 program. Yes, one can for instance go >> through shelxpro, however if one wants to go back to ccp4 this route >> is a bit painful. >> >> Cheers >> Jan >> > - -- Miguel Ortiz Lombardía Centro de Investigaciones Oncológicas C/ Melchor Fernández Almagro, 3 28029 Madrid, Spain Tel. +34 912 246 900 Fax. +34 912 246 976 e-mail: [EMAIL PROTECTED] - ---------------------------------------------------------------------- Et ainsi ne pouvant faire que ce qui est juste fût fort, on a fait que ce qui est fort fût juste. Blaise Pascal, Pensées -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.5 (Darwin) iD8DBQFFlYpbF6oOrDvhbQIRAu2oAJ4/RRVd6ZEqyT9r5q2X6p/mQY6rKQCfexlq HZTzI26MrslMB1VxVSKCq5w= =Rq/Q -----END PGP SIGNATURE-----
