problem with water pick
I have some problems with water_pick. When I use it to find waters for
a structure with 1.4 A resolution using pdb file generated after
bgroup, the program always aborts saying argument out of range. But
this works for my other structure with 2.05 A resolution. However,
when I convert the bgroup pdb to generate file, water_pick runs OK.
But for about half of the waters it picks, there are red density in
Fo-Fc map of the refined structure. Waters for the other structure is
fine. I wonder if this has something to do with the program not
running correctly in the first place on this structure.
Your help is greatly appreciated!