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

Got it! Thanks!

On Tue, Nov 2, 2010 at 6:02 PM, 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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb