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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
--
Dean R. Madden, Ph.D.
Department of Biochemistry
Dartmouth Medical School
7200 Vail Building
Hanover, NH 03755-3844 USA
tel: +1 (603) 650-1164
fax: +1 (603) 650-1128
e-mail: [EMAIL PROTECTED]
