Class PheSABindingHypothesis


  • public class PheSABindingHypothesis
    extends java.lang.Object
    Author:
    joel Algorithm to create to align several active compounds in abscence of a bioactive conformation
    • Constructor Detail

      • PheSABindingHypothesis

        public PheSABindingHypothesis​(java.util.List<StereoMolecule> actives)
      • PheSABindingHypothesis

        public PheSABindingHypothesis​(java.util.List<StereoMolecule> actives,
                                      int nProcesses)