[buster-discuss] defining solvent content - missing part of structure

Michael Hothorn michael at hothorn.de
Tue May 7 09:59:18 CEST 2013


I am trying to refine a partial model: I have a molecular replacement 
solution that comprises about 50% of the asymmetric unit and I would 
like to specify the scattering mass that is missing in the initial pdb 
file to buster. I read in the manual that this can be done by supplying 
a TNT sequence file

$BDG_home/bin/buster/pirToSeq.pl <file.pir>

However, I cannot find the recommended script in my buster 2.10 

mhothorn at crunchy:/fml/ag-hothorn/share/sw/buster_2.10$ find -name *.pl

Could you please provide advice on how to specify the missing atoms to 
buster (so that it assumes the correct solvent content for example).


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