• R/O
  • SSH
  • HTTPS

molby: Source Tree


Name Size Rev. Time Author Log Message
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 r583 2014-10-26 18:29:37 toshinagata1964 Version 1.0b3
bitmaps r370 2013-06-29 17:27:53 toshinagata1964 A progress indicator (and stop button...
xcode-build r572 2014-09-21 22:51:49 toshinagata1964 Keyboard focus issues in Ruby dialog ...
Documents r583 2014-10-26 18:29:37 toshinagata1964 Version 1.0b3
COPYING.ja 20.85 k r1 2010-01-22 01:56:59 toshinagata1964 initial import
wxSources r583 2014-10-26 18:29:37 toshinagata1964 Version 1.0b3
msw-build r583 2014-10-26 18:29:37 toshinagata1964 Version 1.0b3
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
ortep3 r450 2014-03-10 20:08:22 toshinagata1964 ORTEP3 is modified so that it does no...
Makefile 7.68 k r577 2014-10-02 00:31:50 toshinagata1964 Molecule#on_modify is called during i...
how_to_build 8.96 k r517 2014-03-28 14:26:44 toshinagata1964 Handling of string encoding in Ruby s...
MolLib r579 2014-10-06 23:36:44 toshinagata1964 The settings in the MO surface dialog...
Version 36 r583 2014-10-26 18:29:37 toshinagata1964 Version 1.0b3
Makefile_amber11 903 r69 2011-07-06 02:46:20 toshinagata1964 Molecule#{bond,angle,dihedral,imprope...
Scripts r581 2014-10-22 20:34:46 toshinagata1964 Hg and Tl are missing in LanL2DZ.txt
amber11 r528 2014-04-23 20:43:16 toshinagata1964 Building on MSW caused 'missing DLL' ...

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) 2008-2014 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
Show on old repository browser