[phenixbb] Does phenix have any utility to do the 2mFo-DFc composite omit map calculations?

zhangh1 at umbc.edu zhangh1 at umbc.edu
Tue Nov 2 20:09:01 PDT 2010

Got it!

> On Tue, Nov 2, 2010 at 6:02 PM,  <zhangh1 at umbc.edu> wrote:
>> I tried a dimer of 4000aa at 3.2A using the following script:
>> phenix.autobuild data=2VZ8.mtz model=${f}.pdb
>> composite_omit_type=simple_omit
>>  It took hours and ended up with nothing (probably due to memory
>> leaking).
>> Is there anyway to make it faster?
> This is what the 'nproc' argument does - you should use as many
> processors as you have available.  If you can distribute it across a
> queuing system, even better.  (The GUI can set this up for you
> semi-automatically if you have Sun Grid Engine, but it's possible on
> the command line too - check the documentation for details.)  Unlike
> the CCP4 OMIT program, it is actually re-refining many partial models
> to remove phase bias, so running it on a single processor isn't going
> to work very well.
> -Nat
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