Microcomputer manipulation and graphic display of molecular structures-Ii. File structure and maintenance

Abstract A description of the file structures and utilities used to maintain a molecular structure data base is presented. The information in this data base is subsequently used by the program to draw projections of the three dimensional structure of molecules on an X-Y recorder. Details of the implementation of the file structure and utilities are presented in addition to the rationale behind the particular actions employed. Alternative methods of implementation are presented along with any trade-offs involved.