摘要
The method of automatically building 3-D molecular structure ofmacrorings is proposed in the paper.The method can build the 3-D models ofmacrorings full automatically with the support of a knowledge base.The restrictionsof templet methods of building rings have been overcome.The results can meet theneeds of computer-aided molecular design.The distance geometry and its error func-tions in the method have been discussed in detail.
The method of automatically building 3-D molecular structure of macrorings is proposed in the paper.The method can build the 3-D models of macrorings full automatically with the support of a knowledge base.The restrictions of templet methods of building rings have been overcome.The results can meet the needs of computer-aided molecular design.The distance geometry and its error func- tions in the method have been discussed in detail.
