r
is the case, your read_sol line should read (e.g.):
read_sol REFI 1.0 name.pdb 18 SE
(an additional element argument appended to the command line)
I hope these comments can help you.
Kind regards,
Fabio
Subject: [ccp4bb] sitcom
Date: Mon, 18 Nov 2013 16:15:53 +0100
From: Tobias Weinert
Repl
Dear all,
i am trying to compare a set of solutions from shelxd against the correct
solution and not against the generated “unique set" with sitcom my input file
looks like this:
unit_cell XXX
space_group XXX
read_sol SOLUTION 1.0 sites.pdb 18
read_set LIST 0.1 try1_fa.lst 100 18
now i tried t
