METHOD AND SYSTEM FOR PROVIDING COMPUTATIONAL CHEMISTRY EDUCATION SERVICE

摘要

PURPOSE: A method and a system for providing computational chemistry education service are provided to offer basic calculation information, display 3D molecular structures on a screen and allow a user to make chemistry formulas for displaying 3D molecular structures. CONSTITUTION: A user terminal connects to a service providing server(S302) and provides an interface to run a computational chemistry program to a user terminal(S304). When the user terminal displays a selection screen of molecular structure making tool(S306), and a user selects a molecular structure making tool via the selection screen. After receiving molecular structure information and calculation conditions through the molecular structure making tool(S310), the user terminal transmits the molecular structure information and calculation conditions to the service providing server(S312). The service providing server determines whether the molecular structure is suitable for the input form of a molecular structure computation tool(S314). The service providing server computes the molecular structure(S316) and transmits the computed molecular structure to the user terminal(S318). The user terminal displays the computed molecular structure(S320) and transmits a completion signal to the service providing server(S322). The service providing server saves the computed molecular structure together with user identification information(S324) and transmits a request for evaluation to an administrator terminal which is previously registered(S326). The administrator inputs evaluation of each user and transmits the evaluation to the service providing server(S328), then the service providing server saves the evaluation of each user(S330). If the molecular structure is not suitable for the input form of a molecular structure computation tool in step S314, the service providing server converts the molecular structure to be suitable for the input form of the molecular structure computation tool(S332) and performs the step S316. [Reference numerals] (AA) User terminal; (BB) Service providing server; (CC) Manager terminal; (DD) No; (EE) Convert a molecular structure into an input form for a molecular structure computation tool; (FF) Yes; (S302) Login; (S304) Execute a computational chemical program; (S306) Display a selection screen for a molecular structure making tool; (S308) Select a molecular structure making tool; (S310) Receive molecular structure information and computation conditions through the molecular structure making tool; (S312) Molecular structure information and computation conditions; (S314) Molecular structure is an input form for the molecular structure computation tool?; (S316) Calculate a molecular structure according to the computation conditions using the molecular structure computation tool; (S318) Molecular structure computation information; (S320) Display the molecular structure computation information using a visualizing tool; (S322) Completion signal; (S324) Store the molecular structure computation information; (S326) Evaluation request signal; (S328) Evaluation request; (S330) Store the evaluation information