[buster-discuss] target restraints definition in buster
michael at hothorn.de
Wed Jul 13 09:25:34 CEST 2016
I am trying to refine a structure containing two individual domains at
moderate resolution (3.4 A). Autobuster version is 2.10.3. I would like
to try using external restrains using the -target switch. I have high
resolution structures of both domains (100% sequence identity, some
conformational changes in one of the domains). My questions:
1. how do I define the two different domains: Should they be provided in
one or two separate .pdb files, calling the -target switch twice?
2. do they need to have different chain IDs?
3. where can I find information about the mapping of the external
restraints to the structure being refined (which logfile to look at
during the run)?
thank you & best wishes,
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