画面上でグラフィカルに分子モデルを組み立てるソフトウェア。Mac OS X と Windows で動作する。GAMESS, Gaussian などの計算化学ソフトウェアとの連携、組み込み Ruby インタプリタによる自動編集などの機能を持つ。
本プロジェクトは GitHub へ移行しました。今後の更新は GitHub で行い、こちらでは行いません。
GitHub プロジェクトページ： https://github.com/toshinagata/Molby
公式ホームページ： https://toshinagata.github.io/Molby
- Batch mode is implemented, and Molby_command is no longer provided - Document is now included in the application, which can be opened from 'Molby Help' menu command - Windows: random crash on double-clicking the document file is fixed (hopefully) - Windows: incomprehensible errors caused by the encoding mismatch are fixed - CIF import is improved; newer CIFs can now be read * ORTEP dies with non positive-definite B. Draw isotropic atoms instead. * Concatenate Frames command is implemented. - GAMESS dialog: SADPOINT and IRC runtypes are now implemented - Copy section from GAMESS output is implemented - Application is now based on wxWidgets 3.2 - Windows and Mac: high resolution display is supported - Behavior of the list windows (atoms, bonds, etc.) is improved. - Ruby: API of open_auxiliary_window is changed, and it cannot have 'default' buttons any longer - Source codes are cleaned up so that most compiler warnings are removed
Fork