Hi Scooter,
A while ago you asked me about H-Bond calculations for biojava. I committed
some code for this yesterday. Check out
org.biojava.bio.structure.secstruc.SecStruc
It is still a bit unrefined, but once complete this code should be able to
calculate a secondary structure assignment. So far it creates virtual
H-atoms and uses them to calculate H-Bond energies and tracks H-bond
patterns ...
Cheers,
Andreas
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