[phenixbb] MR_Rosetta and dimer of heterodimer

Thomas C. Terwilliger terwilliger at lanl.gov
Tue Oct 11 07:25:43 PDT 2011

Hi Morten,

It would be useful to include the entire sequence in the sequence file so
that the solvent content is calculated correctly, as you guess.  As for
the fragment files...it won't make any difference if you include this part
or not because mr_rosetta only extends a short distance (10 residues)
beyond the template.

All the best,
Tom T

>> Hi everybody,
>> I'm trying to phase a dimer of a heterodimer of a large, ~700aa, and
>> small,
>> ~150aa, component. The only good search model according to HHpred covers
>> the
>> first 500aa of the large component. So I am wondering whether I should add
>> the 150aa to the end of the sequence file and add them to the fragment
>> files
>> in order for phenix.mr_rosetta to do density modification correctly? Or
>> does
>> this not matter at all? According to HHpred and others the last 200aa are
>> beta sheets, probably a a beta sandwich or two, and the 150aa component
>> consists of helical elements but that is as close as it really gets.
>> Cheers,
>> Morten
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