DATABASE AND INTERFACE FOR 3-DIMENSIONAL MOLECULAR STRUCTURE VISUALIZATION AND ANALYSIS

摘要

A molecular structure database system collects multiple data files relating to the same molecule in the same subdirectory, and provides an interface to access all of the collected files from the same molecule using a graphical user interface (GUI) program. The collected files can comprise a variety of information and computer file formats, depending on the type of information to be conveyed to users of the database. A user communicates over a shared network with a secure file server that controls access to the collected files, and the interface to the collected files is provided by a GUI program or client applets. This provides a convenient means of searching molecular structure data for characteristics of interest. Data searching, file viewing, and investigation of multiple representations of molecular structures can be carried out from within a single viewing program.