[phenixbb] phenix.refine & twinning

Pavel Afonine pafonine at lbl.gov
Mon Jan 17 22:07:18 PST 2011

  Hi Nick,

I looked through the files you sent and it looks like a bug in 
phenix.refine (someone reported the same problem before). Sorry about 
this. I fixed this bug yesterday so please use the latest PHENIX version 
from nightly builds available after January 17:


Meanwhile a quick work-around is to remove a PDB file header (all REMARK 
3 records) from input PDB file.

Also, to make sure using twinning in refinement will make any difference 
(at least R-factor wise), run this command:

phenix.model_vs_data model.pdb data.mtz

and see it it tells the data is twinned.

Please let me know if you have any questions.


On 1/17/11 11:53 AM, Nicholas Cody Sennett wrote:
> Can phenix detwin data? I have tried to input the twinning law 
> (l,-k,h) but phenix.refine does not create the appropriate maps and 
> there is no appreciable change in R-factor. I have attached my xtriage 
> and refinement logs.

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