[buster-discuss] 01-BUSTER vs 02-BUSTER?
dcekiert at scripps.edu
Mon Sep 27 01:52:50 CEST 2010
I am trying to refine a structure in Buster for the first time and I am a bit confused about the output. The output directory contains two subdirectories called 01-BUSTER and 02-BUSTER, which I initially thought were derived from two sequential parts of the refinement process. But sometimes "refine.log" in linked to a file from 01-BUSTER and other times to 02-BUSTER. Similarly, sometimes the refine.pdb coordinates are identical to 01-BUSTER/Cycle-5/BUSTER.pdb but other times 02-BUSTER/Cycle-5/BUSTER.pdb.
Could someone please explain what is going on? Does Buster try two different refinement strategies and pick "the best" (if so, what is different and how does it decide)?
If this is in the documentation, I would appreciate it if someone could direct me to the correct web page, but I couldn't find anything yet.
In case it is relevant, my command file is pasted below.
#! /bin/csh -f
-p ../buster3/refine-coot-13_buster-in.pdb \
-m ../phaser_1cp_dex593.mtz \
-M TLSalternate \
-TLS dex865_TLS.in \
-r 0.010 \
-R 50 1.65
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