TmoleX

TmoleX is an interactive graphical interface, molecule builder and QM job environment for Turbomole.

The current version is 17.
The home page is http://www.cosmologic.de/turbomole/tmolex.html.
The binary is in /temp4/bio//TURBO/TmoleX17/TmoleX/TmoleX
The documentation is in /temp4/bio/TURBO/TmoleX14/documentation/Tutorial-tmolex-4-0.pdf
There is a instruction video in http://www.cosmologic.de/turbomole/tmolex/online-video-tutorial.html.

To run it, you must simply write
TmoleX

On some systems, you might first set
export LIBGL_ALWAYS_SOFTWARE=1
otherwise, no molecule is show in the molecule builder.

The installation was simple:
chmod +x TmoleX40Linux64.bin
./TmoleX40Linux64.bin
and follow the instructions on the screen.


  1. Start TmoleX
    TmoleX
  2. Select New Project
  3. Select a directory
  4. Open 3D Molecular Builder
  5. Click on atoms
  6. Build the molecule
  7. Save it


To show vibrational frequencies

  1. TmoleX
  2. Select a NewProject
  3. Open job/Control file
  4. Select the proper file
  5. Click on the project on the left-hand tree
  6. Open 3D molecular builder
  7. Click on Vib. Modes
  8. Click on the desired mode
  9. Click on Play

If you have problems of running Turbomole features within TmoleX (e.g. tidy up with UFF),
this probably indicates that you are not allowed to run the Turbomole version in your path.
This is indicated by "TmoleX (client)" on your window.
To solve this (Uwe 28/5-15):
  1. Start TmoleX
  2. Open a new project
  3. Right-click on the project name in the left-most window
  4. Select open shell
  5. echo $TURBODIR
  6. $TURBODIR/scripts/sysname
  7. ls -l $TURBODIR/bin/`sysname`