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

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


Hi,

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>
		      <file.seq>


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

mhothorn at crunchy:/fml/ag-hothorn/share/sw/buster_2.10$ find -name *.pl
./lib/libmap.pl
./lib/libxtal.pl
./lib/libbdg.pl
./lib/libfloat.pl
./lib/cryptic.pl
./lib/cgi-lib.pl
./lib/libhtml.pl
./bin/buster/cleanup.pl
./buffet/lib/libtnt.pl
./buffet/lib/XfitHelper.pl
./buffet/lib/libbuster.pl
./buffet/lib/jos1dHelper.pl
./buffet/lib/xplot84Helper.pl
./buffet/lib/jos2dHelper.pl
./buffet/cgi-bin/save.pl
./buffet/cgi-bin/deltmp.pl
./buffet/cgi-bin/delcrd.pl
./buffet/cgi-bin/changeprefs.pl
./buffet/cgi-bin/changepass.pl
./buffet/cgi-bin/index.pl
./buffet/cgi-bin/createMap.pl
./buffet/cgi-bin/map.pl
./buffet/cgi-bin/restart.pl
./buffet/cgi-bin/delProject.pl
./buffet/cgi-bin/jos.pl
./buffet/cgi-bin/dosave.pl
./buffet/cgi-bin/resume.pl
./tnt/data/protgeo_eh99_omega_torsion.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).

Thanks!
Michael


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