[phenixbb] detwin data

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Oct 8 13:53:36 PDT 2008

> I've used the phenix.refine with its detwin function.  Is there any way to
> have a detwinned data output so that I can use it for other things.
> I tried use CCP4 detwin with the same twin law and twin fraction obtained
> from Phenix.  However, this didn't work.

I hope Peter will comment on this.

> Another question is whether I can use "some" phase information, say from DM
> into Phenix?  I tried to include the PHIDM but Phenix complained about it
> saying "wrong array".

phenix.refine needs Hendrickson-Lattman coefficients. Often they are
called HA,HB,HC,HD. I'm not sure if DM produces Hendrickson-Lattman
coefficients, but it seems highly likely. You should be able to
simply give the DM file with the Hendrickson-Lattman coefficients to
phenix.refine; it should pick the arrays automatically. If your Fobs
and R-free flags are also in the DM file (in addition to the original
data file), phenix.refine may prompt you to specify which copy
you want. Then add one of the phenix.refine suggestions to the
phenix.refine command line.


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