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Molby: レポジトリ概要

Molecular Modeling Software

最近のコミット RSS

Rev. 日時 作者 メッセージ
c2d61cd 2022-11-16 00:07:54 Toshi Nagata master Support load/save of NBO info
8da5d98 2022-11-16 00:07:13 Toshi Nagata Win: Fix runtime crash when settings file has wrong encod...
56959b3 2022-10-30 17:25:38 Toshi Nagata MO surface display is improved
874b25b 2022-10-25 23:46:28 Toshi Nagata Copyright and License description for JANPA are included
c885505 2022-10-25 23:28:11 Toshi Nagata Desciption of LHO/AHO is improved
7d4e888 2022-10-20 21:21:42 Toshi Nagata Show MO Surface dialog is improved
a65f706 2022-10-16 23:28:39 Toshi Nagata Description of JANPA orbitals is improved (distinction be...
8276e30 2022-10-16 21:30:42 Toshi Nagata Importing JANPA log is improved
3d3ec3d 2022-10-16 16:27:02 Toshi Nagata F/F7/G/G9 orbitals are implemented
878aee0 2022-10-16 11:18:04 Toshi Nagata Molden import: handling of spherical functions is improved


名前 Rev. 日時 作者
v1.1.0 08427c2 2022-09-19 16:39:22 Toshi Nagata
v1.0.2 ef3d097 2021-11-09 22:10:45 Toshi Nagata


名前 Rev. 日時 作者 メッセージ
master c2d61cd 2022-11-16 00:07:54 Toshi Nagata Support load/save of NBO info




    An Interactive Molecular Modeling Software
        with Integrated Ruby Interpreter
          Version 1.1.0

                  Toshi Nagata


1. What is it?

Molby is an application to visualize and build molecular models interactively through 3D display. It provides the following capability:

- Viewing molecular models in either ball-and-stick or "line" display.
- Interactive modification of molecular models by mouse operation.
- Viewing and editing atomic coordinates and other parameters in numeric tables.
- Importing and exporting structure/coordinate data for other program packages such as Gaussian, GAMESS, NAMD and SHELX.
- Embedded Ruby interpreter for automated processing of molecular models.

2. Supported Platforms

Molby runs on Mac OS X (10.5 and later) and Microsoft Windows (XP and later). Executable binaries are provided for both platforms (Molby.dmg for Mac, SetupMolby.exe for Windows).

3. Copyright and License

Molby is a copyrighted product of Toshi Nagata.

       Copyright (C) 2008-2022 Toshi Nagata

Molby includes (more technically: is statically linked to) the following softwares, which are copyrighted products as described below:

- wxWidgets 3.0.0: Copyright (C) 1992-2008 Julian Smart, Robert Roebling, Vadim Zeitlin and other members of the wxWidgets team. Portions (c) 1996 Artificial Intelligence Applications Institute
- Ruby 1.8.7: Copyright (C) 1993-2009 Yukihiro Matsumoto
- CLAPACK: Copyright (C) 1992-2008 The University of Tennessee.
- AmberTools 1.3: Copyright (C) Junmei Wang, Ross C. Walker, Michael F. Crowley, Scott Brozell and David A. Case
- FFTW 3.3.2: Copyright (C) 2003, 2007-11 Matteo Frigo, Copyright (C) 2003, 2007-11 Massachusetts Institute of Technology.

Molby is distributed under the GNU General Public License (version 2). See the file COPYING for more details.

4. How to Use

The document in HTML format is available. Try the tutorial to get familiar with Molby.


Toshi Nagata