Viewmol

It can display geometries, orbitals, and frequencies from Turbomole files (and also from Gaussian, Mopac, and pdb files).
You can also build and modify molecules.

The current version is 2.4

Home page: viewmol.sourceforge.net/viewmol.html
You can get the source code from this page.

Documentation:
/home/bio/Viewmol/viewmol-2.4/doc/viewmol.html
/home/bio/Viewmol/viewmol-2.4/doc/viewmol.pdf

In order to run it you must go to a directory with the Turbomole files (control, mos, etc.) and
export VIEWMOLPATH=/home/bio/Viewmol/viewmol-2.4
$VIEWMOLPATH/source/Linux/viewmol
However, at present, only the binaries in /usr/bin/viewmol works (this is probably viewmol-2.3) and only on Mandrake 7.2 (galar, atle, ...)

The program can only handle closed-shell systems, but by modifying the
control file, you can force it to read also natural orbitals or
alpha or beta orbitals (change the keyword to $scfmo).
Necessary changes

  1. Insert $scfmo in file control. Use a file reference to the natural orbitals or beta orbitals file
  2. Insert $closed shells in file control
  3. Insert $scfmo in the wavefunction file. It must be the first keyword in the file.
  4. For comqum(-x/n) calculations, you also has to run control, command inert (in coordinate menu) to move the coordinates to centre of mass.
At present, the best results seems to be obtained with the natural orbitals, highest resolution, png plot (ps gives artifacts), and stick model.

Bugs:

On Mandrake 7.1:
viewmol: error while loading shared libraries: libXm.so.3: cannot open shared object file: No such file or directory

On Mandrake 7.2:
setAtomColors.py: Tkinter or one of its components not found.
Please install it before running this script again.
Error loading module setAtomColors.

Data for old versions:

Documentation:
/usr/local/lib/Viewmol/man/viewmol.html
/usr/local/lib/Viewmol/man/viewmol.pdf

You can get the source code from  http://www.ccl.net/chemistry/resources/software/SOURCES/C/viewmol/index.shtml.
The current version is 2.3

In order to run it you must go to a directory with the Turbomole files (control, mos, etc.) and
export VIEWMOLPATH=/usr/local/lib/Viewmol
$VIEWMOLPATH/source/IRIX_R5000/viewmol

The program can only handle closed-shell systems, but by modifying the
control file, you can force it to read also natural orbitals or
alpha or beta orbitals (change the keyword to $scfmo).
Necessary changes

  1. Insert $scfmo in file control. Use a file reference to the natural orbitals or beta orbitals file
  2. Insert $closed shells in file control
  3. Insert $scfmo in the wavefunction file. It must be the first keyword in the file.


If you think the orbitals are to crude, you can create a file in your
home directory called
.Xdefaults
and include in this file the line:
Viewmol*wavefunctionForm*grid.maximum: 100

Bugs:
The orbitals are not centered on the atoms  (known bug).
 

The current version is 2.2.1
export VIEWMOLPATH=/usr/local/lib/Viewmol
$VIEWMOLPATH/source/IRIX64_R10000/viewmol