In the field of structural biology, a variety of powerful molecular modeling softwares are adopted in associated studies. However, user are often discouraged from using these tools for visualization as a result of the difficult and complicated user interface. Moreover, a lot of softwares for studying biology are running on Linux platform, many users are familiar with Microsoft Windows platform. The focus of this research is that develop a molecular modeling software with Microsoft Foundation Classes (MFC) and OpenGL which is three-dimensional graphical application program interface (API). This molecular modeling software is specific to Microsoft Windows platform as well. This software is able to represent various complicated three-dimensional molecular structure with wireframe, ball\&stick and space-fill models implemented by OpenGL API. Users are capable of manipulating the transformation of three-dimensional molecular structure as rotation, translation and scaling by mouse, and that represent a real-time change. This software also integrate the feature for calculating the molecular properties such as the number of N, O, Hydrogen-bond donor or accepter, and amide linkage, etc. This software reads the MOL2 format file defined by SYBYL. The PDB format file provided from Protein Data Bank is able to convert to the MOL2 format file through the chemical molecule platform named SYBYL.

目前在結構生物學上有許多分子模型軟體可供選擇使用，但是許多雖然功能強大，但介面對使用者卻不夠親和而不便於使用，讓使用者減少使用的勇氣。本實驗以 Microsoft Foundation Classes (MFC) 以及 OpenGL 這個 Application Program Interface (API) 開發適用於 Microsoft Windows 平台的分子模型軟體。雖然很多生物研究所需的軟體工具都是建構在 Linux 環境上，但 Microsoft Windows 平台仍是一般使用者最熟悉並最常使用的平台。藉 OpenGL 這個高效的 API 提供 Wireframe、Ball\&Stick 以及 Space-fill 等三種呈現模式來展示各種複雜的化學以及藥物的三維立體分子結構，並能夠方便地使用滑鼠任意操控該結構的動作變化，如：旋轉、平移和遠近，並呈現即時的變化來滿足使用者的需求。同時整合計算基本分子特性的功能，如：氮、氧原子和氫鍵給予者或接受者以及胜肽鍵等十種性質的數量。在程式中所輸入的分子結構檔案是來自 SYBYL 公司制定的 MOL2 檔案，而 MOL2 檔案的取得可以藉由 Protein Data Bank 所提供的 PDB 檔案，經過 SYBYL 這個化學分子計算軟體平台的轉換來產生。

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