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 to add the restrain_comp keyword but i can’t get it to work.
thank you very much for your help,
Tobias
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