[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
More information about the buster-discuss
mailing list