Molby is a software for building molecular models on the graphic screen. It works on Mac OS X and Windows. It can import and export files for other computational chemistry softwares such as GAMESS and Gaussian. It can also edit molecules by scripts running on the built-in Ruby interpreter.
Molby is a free software, licensed under GPLv3.
When using Molby, please refer to the following article.
Toshi Nagata, "Molby - Graphical Molecular Modeling Software with Integrated Ruby Interpreter,"
Bull. Chem. Soc. Jpn. 2014, 87, 902-904. DOI:10.1246/bcsj.20140093
News
- 2023/08/08
- The project is moved from OSDN.net to GitHub.
- 2022/09/19
-
Version 1.1.0 is out. From this version on, Mac application runs on 10.12 and later. For 10.6 to 10.11 users, MolbyMacLegacy.app is provided.
- Batch mode is implemented, and Molby_command is no longer provided.
- Document is now included in the application, which can be opened from 'Molby Help' menu command.
- Windows: random crash on double-clicking the document file is fixed (hopefully).
- Windows: incomprehensible errors caused by the encoding mismatch are fixed.
- CIF import is improved; newer CIFs can now be read.
- ORTEP dies with non positive-definite B. Draw isotropic atoms instead.
- Concatenate Frames command is implemented.
- GAMESS dialog: SADPOINT and IRC runtypes are now implemented.
- Copy section from GAMESS output is implemented.
- Application is now based on wxWidgets 3.2.
- Windows and Mac: high resolution display is supported.
- Behavior of the list windows (atoms, bonds, etc.) is improved.
- Ruby: API of open_auxiliary_window is changed, and it cannot have 'default' buttons any longer.
- Source codes are cleaned up so that most compiler warnings are removed.
- 2021/11/19
-
Version 1.0.2 is out.
- UFF bond length and angle parameters are now automatically set. (octahedral and square planar geometries are also taken account.)
- Editing UFF parameters sometimes caused crash. Fixed.
- Windows: Screen update is improved.
- Version info is updated on every build on Mac platform.
- Handling of progress dialog is improved.
- Calling subprocess is reworked.
- 2019/08/17
-
Version 1.0 is out. This is the first official release!
- About dialog is improved.
- On double-clicking and entering formula, the last input string is remembered and shown as the default input
- NO2, SO (sulfonyl) and SO3H (sulfonic acid) are now recognized as known fragments.
- More options in Create GAMESS dialog.
- Handling of the surface normals was incomplete. Fixed.
- Create MO Surface: default opacity is set to 0.8 instead of 0.6.
- Creating cube file was failing when very small electron density (<1e-100) appeared. Fixed.
- Show MO surface dialog now has 'Create Cube' button.
- A CIF file with multiple structures now can be processed (multiple documents are opened in this case)
- PowerPC and 32-bit intel are no longer supported. The binary is 64-bit Intel only. Minimum requirement is now 10.6.
- Fix unstable behavior on drag-and-dropping a log file on the application icon.
- On startup, re-opening the last opened documents was causing crash. Fixed.
- Fixed crash on closing a modified window with a close box.
- The installer now can install 64bit or 32bit version according to the OS architecture.
- Fix assertion failure on using text field in Ruby dialog.
- Modal dialog caused crash sometimes on activation. Fixed (hopefully)
- from_dump was not working because String#each is no longer implemented. Fixed.
- Stop timer before showing error dialog
- In create_graphic with :poly argument, handling of the normal vectors is improved.
- Document for the Ruby extension is updated.
- export_graphic now allows specification of the width and height of the captured image.
- cubegen now accepts mo=0, which means 'arbitrary vector'
* For older updates, please see the "History" page.