RE: [ccp4bb]: free R flag problem (from CNS to CCP4)

[skarthik@caregroup.harvard.edu]

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Dear Guan:

   You can use SFTOOLS in CCP4 to do this. The program reads
input HKL file (CNS format) and can be converted to MTZ
format (REFMAC5) by retaining same Free R value flag.

Hope this helps

karthik


-----Original Message-----
From: GUAN
To: ccp4bb@dl.ac.uk
Sent: 4/9/01 3:17 AM
Subject: [ccp4bb]: free R flag problem (from CNS to CCP4)

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Dear All:
I use CNS to refine my structure to R=17.1% and Rf=18.9%. Now
I want to change to REFMAC5, in order to refine the non-proline
cis-peptide bond as well as the anisotropic B factors because I
refine with a 1.4A data set.
Now a problem: How to keep my free R flag when I use refmac5?
I want to use the same reflections as test set used in CNS.

Thanks.
Rong-Jin Guan