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
