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Rev. Time Author Message
r627 2019-08-17 20:13:25 toshinagata1964 version 1.0
r626 2019-08-17 20:11:30 toshinagata1964 Windows: the installer now can install 64bit or 32bit ver...
r625 2019-08-17 17:55:16 toshinagata1964 About dialog is improved.
r624 2019-08-17 17:52:26 toshinagata1964 Implementation of vsaprintf() is improved
r623 2019-08-17 13:13:18 toshinagata1964 On double-clicking and entering formula, the last input s...
r622 2019-08-17 13:11:25 toshinagata1964 NO2, SO (sulfonyl) and SO3H (sulfonic acid) are now recog...
r621 2019-08-17 00:55:27 toshinagata1964 Ruby document is updated.
r620 2019-08-16 22:57:31 toshinagata1964 Version number is set to 1.0
r619 2019-08-16 21:57:22 toshinagata1964 Build-win32 directory is added to the repository
r618 2019-08-16 21:51:34 toshinagata1964 Xcode settings are restructured

Recently edited Tags

Name Rev. Time Author
version_1_0 r627 2019-08-17 20:13:25 toshinagata1964
version_1_0_b03 r584 2014-10-26 18:32:11 toshinagata1964
version_1_0_b02 r538 2014-04-26 13:46:37 toshinagata1964
version_1_0_b01 r522 2014-03-28 20:39:33 toshinagata1964
version_0_6_5 r364 2013-06-15 22:26:24 toshinagata1964
version_0_6_4 r296 2012-10-13 23:57:01 toshinagata1964
version_0_6_3 r224 2012-06-18 22:55:11 toshinagata1964
version_0_6_2 r182 2012-02-11 23:35:05 toshinagata1964
version_0_6 r144 2011-10-16 00:09:01 toshinagata1964
version_0_5_6_2 r105 2011-08-23 19:00:05 toshinagata1964


Name Rev. Time Author Message
with_289 r424 2014-01-14 22:30:23 toshinagata1964 Keep the version with wxWid...




    An Interactive Molecular Modeling Software
        with Integrated Ruby Interpreter
          Version 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) 2008-2019 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
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