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molby: Source Tree


Name Size Rev. Time Author Log Message
ortep3 r450 2014-03-10 20:08:22 toshinagata1964 ORTEP3 is modified so that it does no...
Makefile 7.64 k r528 2014-04-23 20:43:16 toshinagata1964 Building on MSW caused 'missing DLL' ...
how_to_build 8.96 k r517 2014-03-28 14:26:44 toshinagata1964 Handling of string encoding in Ruby s...
MolLib r534 2014-04-25 20:26:58 toshinagata1964 backquote in MSW is not working well ...
Version 36 r537 2014-04-26 12:26:48 toshinagata1964 Version 1.0b2
Makefile_amber11 903 r69 2011-07-06 02:46:20 toshinagata1964 Molecule#{bond,angle,dihedral,imprope...
Scripts r533 2014-04-25 14:18:32 toshinagata1964 Setting the 'Scratch' directory is so...
amber11 r528 2014-04-23 20:43:16 toshinagata1964 Building on MSW caused 'missing DLL' ...
update_version.rb 2.33 k r308 2012-10-28 18:26:28 toshinagata1964 The load/save codes are rewritten, so...
README 2.06 k r537 2014-04-26 12:26:48 toshinagata1964 Version 1.0b2
bitmaps r370 2013-06-29 17:27:53 toshinagata1964 A progress indicator (and stop button...
xcode-build r535 2014-04-26 11:37:59 toshinagata1964 Mac: 'Window' menu is implemented.
Documents r537 2014-04-26 12:26:48 toshinagata1964 Version 1.0b2
COPYING.ja 20.85 k r1 2010-01-22 01:56:59 toshinagata1964 initial import
wxSources r537 2014-04-26 12:26:48 toshinagata1964 Version 1.0b2
msw-build r537 2014-04-26 12:26:48 toshinagata1964 Version 1.0b2
record_build_date.sh 568 r426 2014-01-16 01:06:20 toshinagata1964 Cleanup Makefiles. Molby_command (on ...
amberparm2molby.pl 2.89 k r66 2011-07-03 00:24:26 toshinagata1964 Gaff and parm99 parameters: the equil...
osx-build r1 2010-01-22 01:56:59 toshinagata1964 initial import
clapack-3.1.1.1-mingw.patch 7.57 k r1 2010-01-22 01:56:59 toshinagata1964 initial import
COPYING 17.59 k r1 2010-01-22 01:56:59 toshinagata1964 initial import
ruby-2.0.0-p353.tar.gz 12.94 M r489 2014-03-23 23:52:50 toshinagata1964 Ruby-2.0.0 is now included in the rep...
Makefile_ortep3 1.2 k r528 2014-04-23 20:43:16 toshinagata1964 Building on MSW caused 'missing DLL' ...
memo.txt 58.59 k r537 2014-04-26 12:26:48 toshinagata1964 Version 1.0b2

README

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

                     Molby

    An Interactive Molecular Modeling Software
        with Integrated Ruby Interpreter
  
          Version 1.0b2

                  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) 2008-2014 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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