Hmm - detwinning is difficult - problematic , because you need to give a
fixed twin fraction, which you may have estimated wrongly.
both SHELX (I think) and REFMAC (I know) will refine with multiple twin
operators, improve the twin fraction estimates, and output an "fobs"
which is a detwinned F
orks.
Cheers,
Boaz
- Original Message -
From: yang li
Date: Tuesday, June 29, 2010 22:01
Subject: [ccp4bb] Programs to detwin.
To: CCP4BB@JISCMAIL.AC.UK
> Dear All,
>
> Can phenix.refine and
> Detwin in CCP4 handle twinning data with
> multiple twinning law?
Dear All,
Can phenix.refine and Detwin in CCP4 handle twinning data with
multiple twinning law? Or there are
some other good programs can do this? If the data has some pseudo-meroheral
twin operators, can it be
treated as same as merohedral operates? Thanks very much!
Best
Yang
