Molby is a software for building molecular models on the graphic screen. It works on Mac OS X and Windows. It can import and export files for other computational chemistry softwares such as GAMESS and Gaussian. It can also edit molecules by Ruby scripts.
This project is moved to GitHub. Updates are only available on GitHub.
GitHub Project Page: https://github.com/toshinagata/Molby
Molby Homepage: https://toshinagata.github.io/Molby/en/
AmberTools 1.3 (partly) is included in the package. The tools make it easy to assign MM atom types and calculate am1-bcc partial atomic charges for organic molecules.
Freeze problems after MM/MD is improved (it still happens sometimes).
The document "Energy minimization by molecular mechanics" is written.
AmberTools 1.3 を同梱しました。有機分子の分子力学計算について、原子タイプの指定と am1-bcc 法による部分電荷の計算が簡単にできます。
MM/MD を使ったあと終了時にフリーズする問題を改善。（まだ時々起きますが）
ドキュメントに「分子力学計算によるエネルギー最小化」の章を追記。
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