[buster-discuss] target restraints definition in buster

Michael Hothorn michael at hothorn.de
Wed Jul 13 09:25:34 CEST 2016

Dear all,

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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