Dear all,
given a very overcrowded substucture (e.g. from SHELX, PnB for sulfur)
in a big asymmetric unit (over 100 proposed S),
given the resolution used for the substructur determination,
given several possible S-patterns (taken from PDB), like PAN-pattern,
Apple-pattern a.s.o. as a pdb-file.
Which program can be used to find the given pattern in the substructure
(NCS search, ...) taking
into account the error limits for the S-atom positions? Automatical
NCS-search independent of the search pattern (using Solve/Resolve, SnB)
does not work.
Any hint is welcome,
Juergen
