From molekel at cscs.ch  Thu Jul 19 10:32:35 2007
From: molekel at cscs.ch (Molekel)
Date: Mon Aug  6 03:23:28 2007
Subject: [Molekel-users] Molekel 5.2 released
Message-ID: <469F7207.40801@cscs.ch>

Molekel 5.2 has been released. Several bugs have been fixed and some 
major features have been introduced; please check the change log below. 
We delayed the release to accommodate some last minute feature requests 
and to investigate some issues with the Molden reader which are not 
completely solved, so chances are a bug fix release will be out pretty soon.


IMPORTANT: THIS WILL BE THE LAST MESSAGE SENT TO THESE MAILING LISTS: 
due to serious problems with spam and some connectivity issues (messages 
bounched back several times) we won't be using these mailing lists 
anymore; please do check the news on the Molekel website or use the forums.

*/Changelog/*

Moved to OpenBabel 2.1, this allowed to fix some problems when reading 
big PDBs (>64k atoms).

Added support for GLSL shaders: after a molecule has been selected it is 
possible to assign vertex and pixel shader to the molecule and any 
generated surface. Shader parameters can be saved/loaded to/from text 
files. Only the following data types are currently supported for uniform 
parameters:

    * float
    * vec2
    * vec3
    * vec4
    * bool
    * int

If a parameter name contains the string 'color' or 'colour' (case 
insensitive) it is possible to set the value through a color dialog. In 
case shaders are not supported (OpenGL 2.0 required) the shaders menu 
item is disabled.

Added support for multiple vibrational modes: any number of vibrational 
modes can now be combined to animate atoms.

Added option in Display menu to hide selection bounding boxes.

Added support for record/playback of GUI events, this is mainly used for 
automated GUI testing and demo purposes.

Animation export can now be interrupted by clicking on the 'stop' button.

Added optional command line parameters:

    * -load <file type> <file path>
    * -size <window width> <window height>
    * -position <window upper left corner x> <window upper left corner y>
    * -settings [<key1 value1> <key2 value2> ...] if not arguments are
      provided current settings info is printed to console
    * -events <file path> <initial delay (s)> <time scaling>

Added support for PNG output.

Fixed bugs:

    * 382 - Electron density surfaces are not animated
    * 383 - Animation of SES is not reset
    * 384 - Grid data surface dialog's 'Generate' button not disabled
    * 388 - Cannot load GAMESS file with Hessian runs
    * 389 - Cannot load basis set from GAMESS output
    * 390 - Cannot specify file format when saving
    * 393 - Bounding box not updated when animating.
    * 394 - Program may crash when changing animation mode.