Class ForceFieldReader

    • Field Detail

      • userAtomTypes

        private java.lang.String userAtomTypes
      • atomTypes

        private java.util.Properties atomTypes
    • Constructor Detail

      • ForceFieldReader

        public ForceFieldReader()
    • Method Detail

      • setUserAtomTypes

        protected void setUserAtomTypes()
      • getElementSymbol

        protected boolean getElementSymbol​(Atom atom,
                                           java.lang.String atomType)
      • deducePdbElementSymbol

        protected static java.lang.String deducePdbElementSymbol​(boolean isHetero,
                                                                 java.lang.String XX,
                                                                 java.lang.String group3)