[buster-discuss] test flag number in BUSTER
claus at globalphasing.com
Tue Mar 29 17:15:33 CEST 2011
On Sun, Mar 27, 2011 at 12:02:42AM +0900, Keitaro Yamashita wrote:
> Dear BUSTER developers,
> I have questions about running autoBUSTER 2.8.
> I'm very new to this software.
> How can I know which FreeR_flag number is used as test set?
as David correctly said you can see column name in the main output
> And how can I tell BUSTER the correct flag number?
by default '0' is used. You can double-check that by inspecting
the value of the FREFLG keyword in one of the CRD files eg.
% grep FREFLG ./run00/01-BUSTER/Cycle-1/CRD
KEYWORD FREFLG=0 USESIG BLKBLR=50 MXLCYC=1 MSKRAD=400
so in this case a value of '0' is used.
> Looking at free-R value given by autoBUSTER, I noticed it is very
> smaller than by other softwares (phenix.refine and refmac5 say 43%,
> but BUSTER says 36%).
> So I'm afraid that free-R flag number was wrongly chosen.
well, not necessarily. To add to what David said, you can test
it by selecting a different set.
Please see a new wiki-page that shows how to set the value and
what to expect when a 'new' set is chosen:
Hope this helps,
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