Ha, I've been busted by the Phenix team !
To tell the truth I still want to explore the best building and
refinement options. ArpWarp vs Textal and Refmac versus phenix.refine
and just see what gives the best result. I have used phenix.refine
already....it is very good stuff indeed.
Many thanks
Petra
Pavel Afonine wrote:
> Hi,
>
> Just to explaine: it is "assumed" that if you came from using phenix
> AutoSol and AutoBuild then for refinement you use phenix.refine
> (refinement program in PHENIX). phenix.refine uses 1 for TEST and 0
> for WORK (similar to CNS). It is not clear to me at all why you need
> to do the swap.
>
> Pavel.
>
>
> Petra Lukacik wrote:
>> I have a mtz file (output from phenix AutoSol and AutoBuild) where
>> the FreeR flag for the test set has a value of 1 and and the working
>> set has value 0. This is opposite to the ccp4 default where the FreeR
>> set used within refinement is flagged as 0. Is there a way to swap
>> the two around so that my file has the ccp4 default arrangement?
>> Preferably I would like to avoid conversion to ASCII reflection file
>> formats (and back to mtz).
>> Many thanks
>>
>> Petra
>>
>> ------------------------------
>> Dr Petra Lukacik
>> NIDDK, NIH
>> Building 50, Room 4507
>> 50 South Drive
>> Bethesda
>> MD 20892
>> USA
>> Tel: 301 594 9231
>> -----------------------------
>
|