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 _______________________________________________ Biojava-l mailing list - [email protected] http://lists.open-bio.org/mailman/listinfo/biojava-l
