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22 Aug
2010
22 Aug
'10
12:28 a.m.
hello, After reading many posts on the phenix and coot boards I realize that the hydrogens produced by phenix.ready_set are not compatable with coot. Specifically, coot does not recognize HB3 and HD3 hydrogens. When I do realspace refinement they fly off into space. I have edited HB3 to read HB2 and HB2 to read HB1 and everything works well. I was wondering if there is a fix for this besides editing the pdb each time you run phenix.ready_set. Is there a way to add HB3 hydrogens to the phenix library (CCP4 library)? Thank you -Yarrow