David Leader wrote: >Currently Jmol calculates mainchain-mainchain hydrogen bonds very >nicely, but, like RasMol doesn't calculate sidechain hydrogen bonds. >I imagine that this question has come up before, but I'd be >interested to know whether the technical difficulty of calculating >them is the problem. The hydrogen-bonded motifs that we are >displaying include some categories defined by sidechain-mainchain >H-bonds (with Asx and Ser or Thr), so being able to display them >automatically would be of great interest to us. > >Oliver Twist > >(David) > > If the motifs are well-described in the PDB file, this would be no problem. If they are to be generated from scratch, that's more of a problem.
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