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/
Common "Scratch" directory is used for all external programs, namely antechamber, resp, gamess and ortep. Note: the scratch directory cannot contain whitespace characters.
In reading MM/MD parameters, check criteria for duplicate parameters are somewhat relaxed (i.e. comparison of floating numbers is allowed for rounding errors)
Symmetry Operations dialog was not working for setting new symmetry. Fixed.
GAMESS dialog is modified so that manual editing is possible.
Mac: 'Window' menu is implemented.
Win: crash caused by the 'missing DLL' problems was fixed.
Win: document_home is modified to use the Windows API, instead of hard-coded path (which was wrong on Windows Vista and later).
Win: "backquote" method was not working well.
Win: when the program is started twice, the second invocation was causing crash. Hopefully fixed.
すべての外部プログラム (antechamber, resp, gamess, ortep) に対して共通のワーキングディレクトリを使用するようにした。（既定値はホームディレクトリ中の Molby）ワーキングディレクトリのパスは空白を含んでいてはいけない。
MM/MD パラメータの読み込みの際に、同一パラメータの読み込み判定で丸め誤差を考慮するようにした。
Symmetry Operation ダイアログで、新しい対称操作の追加ができなかったのを修正。
GAMESS ダイアログで入力ファイルを編集できるようにした。
Mac: "Window" メニューを実装した。
Win: DLL がなくてクラッシュする問題を修正。
Win: ドキュメントディレクトリを "My Documents" に決め打ちしていたのを修正。
Win: "backquote" コマンドがうまく動いていなかったのを修正。
Win: 二重に起動するとクラッシュしていた問題を修正。
Common "Scratch" directory is used for all external programs, namely antechamber, resp, gamess and ortep. Note: the scratch directory cannot contain whitespace characters.
In reading MM/MD parameters, check criteria for duplicate parameters are somewhat relaxed (i.e. comparison of floating numbers is allowed for rounding errors)
Symmetry Operations dialog was not working for setting new symmetry. Fixed.
GAMESS dialog is modified so that manual editing is possible.
Mac: 'Window' menu is implemented.
Win: crash caused by the 'missing DLL' problems was fixed.
Win: document_home is modified to use the Windows API, instead of hard-coded path (which was wrong on Windows Vista and later).
Win: "backquote" method was not working well.
Win: when the program is started twice, the second invocation was causing crash. Hopefully fixed.
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