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, [email protected] 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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