You know you can convert the CNS FreeRflags to the mtz file?
Use Reflection utilities / convert to mtz and say you are inputted CNS /
Xplor data
Eleanor
But I believe there is an inevitable difference between CNS and Refmac
FreeRs - CNS scaled the work and free data seperately which for
Hi, All
Could any tell me how CCP4 handle free R flag? I know It is important to
select the same** FreeR reflections if I move to next step of refinement.
But everytime I start from fresh, the freeR Flag remains unchanged. The
Rwork and Rfree of my models are fine (20.7% and 22.9%). I thought
Sorry that I didn't explain the situation clearly. I used only one
output.sca file from HLK2000. I ran the scalepack2mtz (in CCP4i, data
reduction, import merged data) several times, on both linux Fedora and
window XP, the same computer though.
For the next step refinement, I mean add H2O, ion,
Zheng Zhou wrote:
Hi, All
Could any tell me how CCP4 handle free R flag? I know It is important
to select the same** FreeR reflections if I move to next step of
refinement. But everytime I start from fresh, the freeR Flag remains
unchanged. The Rwork and Rfree of my models are fine ( 20.7%
FREEFLAG (the program which is used to generate the test set)
description says when describing the keyword SEED:
By default, for a given job on a given machine, the random number
generator produces the same list of random free-R flags each time the
job is run. Since you would generally only
Thank you all for fast replying. The reason that I am trying to use a
different set of FreeR flag from the very beginning of the refinement is
that for some data set, my colleague's CNS refinement gave converged Rfree
and R work, 3% difference. However both my CNS and CCP4 refinement gave a
