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 restricti...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.展开更多
文摘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.
