[phenixbb] confusing instruction for autoMR
Thomas C. Terwilliger
terwilliger at lanl.gov
Fri Sep 11 16:45:06 PDT 2009
>> This is the example from the website:
>> Run AutoMR using coords.pdb as search model, native.sca as data, assume
>> RMS between coords.pdb and true model is about 0.85 A, the sequence of
>> true model is seq.dat and there is 1 copy in the unit cell:
>> phenix.automr coords.pdb native.sca RMS=0.85 seq.dat copies=1 \
>> n_cycle_rebuild_max=2 n_cycle_build_max=2
>> 1. 1 copy of what: model.pdb or seq.dat? Model.pdb could be a dimer and
>> seq.dat a monomer.
In this example we are assuming that model.pdb is a monomer and seq.dat is
the sequence of that monomer.
>> 2. 1 copy in the unit cell. Is it really in the unit cell? Usually we
>> use number of copies in the asymmetric unit.
That one is a very bad typo. Yes, I meant one in the asymmetric unit. I
have just fixed that in the documentation...
All the best,
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