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Molby
An Interactive Molecular Modeling Software
with Integrated Ruby Interpreter
Version 1.2beta1
Toshi Nagata
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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 (10.12 and later) and Microsoft Windows (XP and later). Executable binaries are provided for both platforms (MolbyMac.zip for Mac, SetupMolby.exe for Windows).
3. Copyright and License
Molby is a copyrighted product of Toshi Nagata.
Copyright (C) 2008-2024 Toshi Nagata
Molby includes the following softwares, which are copyrighted products as described below:
- wxWidgets 3.2.0: Copyright (C) 1992-2022 Julian Smart, Robert Roebling, Vadim Zeitlin and other members of the wxWidgets team. Portions (c) 1996 Artificial Intelligence Applications Institute
- Ruby 2.0.0: Copyright (C) 1993-2013 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.
- ORTEP III: The citation is made like below. There are no copyright notice, but it is likely to be put in public domain. Burnett, M. N.; Johnson, C. K. ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations, Oak Ridge National Laboratory Report ORNL-6895, 1996.
- JANPA: Copyright (C) 2014, Tymofii Nikolaienko.
Molby is distributed under the GNU General Public License (version 3). 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