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molby: Repository summary


Recent Commits RSS

Rev. Time Author Message
r612 2018-03-22 08:46:44 toshinagata1964 Mac: fix unstable behavior on drag-and-dropping a log fil...
r611 2018-03-12 23:29:48 toshinagata1964 More options in Create GAMESS dialog.
r610 2017-12-17 10:08:27 toshinagata1964 Windows: fix assertion failure on using text field in Rub...
r609 2017-12-16 23:18:37 toshinagata1964 Support 'Debug' configuration for Windows on Xcode build.
r608 2017-12-16 18:11:19 toshinagata1964 Switch to the mingw-w32 cross compiler toolchain
r607 2016-09-09 09:50:50 toshinagata1964 Create MO Surface: default opacity is set to 0.8 instead ...
r606 2016-09-09 09:48:46 toshinagata1964 Creating cube file failed when very small electron densit...
r605 2016-09-08 13:34:38 toshinagata1964 export_graphic now allows specification of the width and ...
r604 2016-09-07 19:29:58 toshinagata1964 MSW target now depends on ../revisionInfo.txt (otherwise ...
r603 2016-09-07 19:13:38 toshinagata1964 Show MO surface dialog now has 'Create Cube' button.

Recently edited Tags

Name Rev. Time Author
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
version_0_5_6_1 r97 2011-08-05 20:37:37 toshinagata1964

Branches

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

README

========================================================

                     Molby

    An Interactive Molecular Modeling Software
        with Integrated Ruby Interpreter
  
          Version 1.0b3

                  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) 2008-2017 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.

Enjoy!

Toshi Nagata
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