[phenixbb] Phaser with fixed solution

Ursula Schulze-Gahmen uschulze-gahmen at lbl.gov
Wed Jan 30 09:21:25 PST 2013

I am trying to solve a structure by molecular replacement  in phaser using
2 model fragments. I think I may have placed the 1st fragment correctly. I
don't quite understand how to best proceed with a fixed ensemble searching
for the second fragment in phaser-MR. If I select "use partial solution
from previous job", do I still need to read in the coordinates of that
previous solution for one ensemble? And If I do, should I read in the
starting coordinates or the placed output from this 1st molecular

The second question is about how to relax the restraints fr the packing. In
the "other settings" sub window is a section for packing. Could someone
explain to me what the different options in this packing section mean?
Which of them should I change to allow for more close contacts?



Ursula Schulze-Gahmen, Ph.D.
Assistant Researcher
UC Berkeley, QB3
356 Stanley Hall #3220
Berkeley, CA 94720-3220
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