[phenixbb] heavy atom search within phaser molecular replacement

Bryan Lepore bryanlepore at gmail.com
Fri Dec 3 09:39:10 PST 2010


i know that phaser will find heavy atoms in autosol, and that "MR-SAD"
can be run as two separate steps, such that with some scripting, one
could in principle cycle through a bunch of heavy atom searches using
MR phases.

however, it is not clear to me whether phaser can be run such that
e.g. the refined MR solutions can have their anomalous Fourier's
searched for peaks in a single MR job. seems possible in principle -
before i go trying this, any comments would be appreciated....

i.e. run heavy atom searches as part of molecular replacement, for
convenience. hope that makes sense.

-Bryan



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