| Rev. | 日時 | 作者 | メッセージ |
|---|---|---|---|
| c2d61cd | 2022-11-16 00:07:54 | Toshi Nagata | master Support load/save of NBO info |
| 8da5d98 | 2022-11-16 00:07:13 | Toshi Nagata | Win: Fix runtime crash when settings file has wrong encod... |
| 56959b3 | 2022-10-30 17:25:38 | Toshi Nagata | MO surface display is improved |
| 874b25b | 2022-10-25 23:46:28 | Toshi Nagata | Copyright and License description for JANPA are included |
| c885505 | 2022-10-25 23:28:11 | Toshi Nagata | Desciption of LHO/AHO is improved |
| 7d4e888 | 2022-10-20 21:21:42 | Toshi Nagata | Show MO Surface dialog is improved |
| a65f706 | 2022-10-16 23:28:39 | Toshi Nagata | Description of JANPA orbitals is improved (distinction be... |
| 8276e30 | 2022-10-16 21:30:42 | Toshi Nagata | Importing JANPA log is improved |
| 3d3ec3d | 2022-10-16 16:27:02 | Toshi Nagata | F/F7/G/G9 orbitals are implemented |
| 878aee0 | 2022-10-16 11:18:04 | Toshi Nagata | Molden import: handling of spherical functions is improved |
| 名前 | Rev. | 日時 | 作者 |
|---|---|---|---|
| v1.1.0 | 08427c2 | 2022-09-19 16:39:22 | Toshi Nagata |
| v1.0.2 | ef3d097 | 2021-11-09 22:10:45 | Toshi Nagata |
Fork========================================================
Molby
An Interactive Molecular Modeling Software
with Integrated Ruby Interpreter
Version 1.1.0
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) 2008-2022 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