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

[zhangh1 at umbc.edu]

Hi Tom:

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?

Thanks!

Hailiang

> Hi Hailiang,
> Yes, you can do this with autobuild:
>
> phenix.autobuild data=data.mtz model=coords.pdb
> composite_omit_type=simple_omit nproc=4
> (or nproc=however many processors you have)
>
> It's pretty quick.
>
> All the best,
> Tom T
> On Nov 2, 2010, at 12:00 PM, zhangh1 at umbc.edu wrote:
>
>> Hi,
>>
>> Does phenix have any utility to do the 2mFo-DFc composite omit map
>> calculations (similar to OMIT in CCP4)? Thanks in advance!
>>
>> Hailiang
>>
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>
> Thomas C. Terwilliger
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> Los Alamos National Laboratory
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