1. Introduction

This document is the User’s Manual for the ProteinDF program.

1.1. Disclaimer

This manual is a work in progress. Though created and distributed in the hope of being useful, this document is offered without any warranty of any kind. Since the software is still being developed, some content of this manual may differ from the provided product. The author disclaims all liability for any damages directly or indirectly caused by the use of this manual.

For questions and feedback, please contact the mailing list (pdf-users@iis.u-tokyo.ac.jp) or use the contact information described in Section 1.3.

1.2. License

The ProteinDF software is released under an open source license: the GNU General Public License (GPL). For the exact terms and conditions of the GPL license, please refer to http://www.fsf.org/licenses/. Please also refer to http://www.fsf.org/licenses/gpl-faq.html and http://www.gnu.org/philosophy/enforcing-gpl.html.

The development of this software is supported by scientific research grants. When publishing research results using ProteinDF, please cite the following article to assist the development of our software. When citing the article, please share with us the bibliographical information of the research material.

  • F. Sato, Y. Shigemitsu, I. Okazaki, S. Yahiro, M. Fukue, S. Kozuru, and H. Kashiwagi, “Development of a new density functional program for all-electron calculation of proteins”, Int. J. Quant. Chem., 63, 245-246 (1997).

1.3. Contact information

4-6-1 Komaba, Meguro, Tokyo 153-8505 Japan

Sato, F. Laboratory, Institute of Industrial Science, the University of Tokyo

email: pdf-dev [AT] iis.u-tokyo.ac.jp

1.4. Acknowledgement

The development of this program was supported by grants from the following projects:

  • Research and Development for Applying Advanced Computational Science and Technology by Japan Science and Technology Corporation

  • Frontier Simulation Software for Industrial Science by Ministry of Education, Culture, Sports, Science and Technology (MEXT)

  • Revolutionary Simulation Software by MEXT

  • Research and Development of Innovative Simulation Software by MEXT

  • Next-generation Integrated Simulation of Living Matter by MEXT

1.5. Revision history

  • Dec. 2012 First edition

  • 2013年 3月 イノベーションプロジェクト版リリースに伴う修正

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2. Overview

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