| Budget Amount *help |
¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
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| Outline of Final Research Achievements |
In the calculation of protein electronic structures, we have developed a software related to automation of computational structure modeling and automation of electronic structure calculation based on the QCLO method, and established fundamental technology to further accelerate the addition of calculation examples to the protein electronic structure database. By adopting the YAML format input file, it became possible to calculate protein electronic structure safely and conveniently using the QCLO method without programming. The developed source code has been published on the Internet.
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