On 03/03/2011 06:13 AM, Ting-Wei Jiang wrote:
Dear all experts,
I'm trying to calculate R-value (and free R) specifically which is between
data and the modified structure(refined by myself without help from any
program).I've looked the program for calculating a long while.Actually,I
found one named Rsearch (CCP4 supported).Nevertheless,I cant find Rsearch in
CCP4 package.
Could anyone direct me on how to get this value? thanks in advance.
:>
TingWei
Rsearch was a molecular replacement search program which calculated
Rvalues for many positions in the unit cell. Not what you need.
If you have a model and observed data the simplest way to get an Rfactor
is to run 0 cycles of REFMAC. This will give you the Rfactors for your
model without applying any shifts. It will adjust the scale and Bfactors
to get the best ft though.
If you already have a file containinf Fobs SigFobs and Fc rstats will
calculate Rfactors. It is too old to consider Free Rfactors though
All the best Eleanor
