APPARATUS FOR PREPARING MOLECULAR STRUCTURE DIAGRAM, METHOD FOR PREPARATION, AND STORAGE MEDIUM FOR PREPARATION

摘要

An apparatus for preparing molecular structure diagrams provided with means for inputting bonded atom pair data indicating the relationships of bonding of the atoms constituting a chemical compound, means for storing the bonded atom pair data, and means for preparing a molecular structure diagram of the compound based on the bonded atom pair data sampled from the storing means. The means for preparing a molecular structure diagram is provided with the section for sampling the atom pair data, the treatment section for classifying the atoms constituting the compound into the group of atoms of the cyclic parts and the group of atoms of the chain parts, the treatment section for two-dimensional coordinate processing for determining the two-dimensional coordinates of each atom, and the treatment section for preparing a molecular structure diagram based on the two-dimensional coordinates thus determined.