Class StructureAssembler


  • public class StructureAssembler
    extends java.lang.Object
    Author:
    JW December 2019 The StructureAssembler class takes a list of AtomRecords and constructs the 3D-Molecules. Protein atoms are grouped together, HETATM records are grouped according to their connectivity into non-bonded fragments, HETATM molecules that are connected to the protein are merged with it.
    • Constructor Summary

      Constructors 
      Constructor Description
      StructureAssembler​(java.util.List<int[]> bondList, java.util.List<AtomRecord> atomRecords, java.util.List<AtomRecord> hetAtomRecords)  
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      java.util.Map<java.lang.String,​java.util.List<Molecule3D>> assemble()  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • StructureAssembler

        public StructureAssembler​(java.util.List<int[]> bondList,
                                  java.util.List<AtomRecord> atomRecords,
                                  java.util.List<AtomRecord> hetAtomRecords)
    • Method Detail

      • assemble

        public java.util.Map<java.lang.String,​java.util.List<Molecule3D>> assemble()