[Chimera-users] Met CH3 and NH3+ hydrogen optimization

Visvaldas K. coyote_v2002 at yahoo.com
Fri Sep 28 00:34:17 PDT 2012

Dear colleagues,

Regarding H addition to protein structures, there are indications that hydrogens of NH3+ groups of lysine or N-termini, and side chain methyls of methionines need a rotational optimization (Richardson & Richardson, Chapter 15 in "Structural Bioinformatics", 2nd ed., 2009, p. 380) . I think this problem is not too common, but I did encounter it at least once when I had to rotate manually a Methionine methyl to remove a clash with 
the ligand.  I think Chimera doesn't perform this optimization, or does it? If it doesn't, perhaps this could be put on a list of future improvements:)

Best regards,

Vis Kairys

Institute of Biotechnology
Vilnius University
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