The Software Design And Development For Protein Structure Prediction

The three-dimensional structure of the protein determines the function of protein, knowing protein’s structure and biological activity state has important effect in understanding and curing many diseases. Therefore, acquiring the three-dimensional structure of protein is particularly important. The limitations and high cost to measuring the protein structure with laboratory method prompts protein structure prediction become a hot research field in bioinformatics. For the convenience of testing and improving the performance of protein structure prediction algorithm, and for the purpose of improving the ease use of protein structure prediction tools and scalability as well, the software for protein structure prediction is designed and developed aim to achieve the purpose of predicting protein structure. The detailed work and research achievements are listed as follows:1. Describing the research background and significance of the protein structure prediction, and introducing the existing software and online web server for protein structure prediction.2. Introducing the Rosetta and I-TASSER which used in protein structure prediction field widely, and the basic framework and core components of them in a systematic way as well.3. After analyzing the requirements of the development of protein structure prediction software, paying close attention to usability on existing protein structure prediction software, designing the protein structure software’s main framework, module structure and GUI layer structure based on principles of software engineering.4. Based on Rosetta and PyRosetta, using the object-oriented programming language Python, using the wxPython package designed the GUI interface of protein structure prediction software, completes the development of CSA, DE, and Tree modules which implements the search function of protein conformation.5. Based on Linux platform, designed the protein structure prediction software, which test ENGRAILED HOMEODOMAIN(IENH), PROTEIN G(1GB1),50S RIBOSOMAL PROTEIN L2O(1GYZ), CALBINDIN D9K(4ICB) with the average 3.56A.