Package com.actelion.research.chem.phesa
Class PheSABindingHypothesis
- java.lang.Object
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- com.actelion.research.chem.phesa.PheSABindingHypothesis
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public class PheSABindingHypothesis extends java.lang.Object
- Author:
- joel Algorithm to create to align several active compounds in abscence of a bioactive conformation
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Constructor Summary
Constructors Constructor Description PheSABindingHypothesis(java.util.List<StereoMolecule> actives)
PheSABindingHypothesis(java.util.List<StereoMolecule> actives, int nProcesses)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description StereoMolecule[][]
generate()
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Constructor Detail
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PheSABindingHypothesis
public PheSABindingHypothesis(java.util.List<StereoMolecule> actives)
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PheSABindingHypothesis
public PheSABindingHypothesis(java.util.List<StereoMolecule> actives, int nProcesses)
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Method Detail
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generate
public StereoMolecule[][] generate()
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