Programs supported via the Molden Format

Programs supported via the Molden Format.

A number of people have created scripts or programs that write molden format starting from other programs outputfiles.


ADF    - Fabio Mariotti, Prof. Alessandro Bencini, fabio.mariotti@unifr.ch

MOLPRO - Prof. P.J.Knowles, http://www.molpro.net/

ACESII - Piotr Rozyczko, piotr@qtp.ufl.edu, http://www.qtp.ufl.edu/

MOLCAS - Coen de Graaf, c.degraaf@qf.ub.es, http://www.teokem.lu.se/molcas/

DALTON - Alexanader Auer, auer@mail.uni-mainz.de
         http://www.kjemi.uio.no/software/dalton/dalton.html

Jaguar - Schrodinger, Inc., help@schrodinger.com, http://www.schrodinger.com/

         Thanks to Richard P. Muller (rpm@wag.caltech.edu) at Caltech for 
         writing the initial Jaguar to Molden scripts.

Turbomole - Turbomole GmbH,
info@turbomole.com or turbomole@cosmologic.de
         http://www.turbomole.com

HONDO  - Mariusz Klobukowski & Christopher Lovallo, Mariusz.Klobukowski@ualberta.ca

CADPAC - Mariusz Klobukowski, Mariusz.Klobukowski@ualberta.ca

         The conversion of CADPAC output to molden format is done
         via the program cad2mol. It is distributed with the
         molden source code. Type 'make cad2mol' to compile it.
         To run it type 'cad2mol cadpac_output.out'
         a file cadpac_output.mdn will have been created.

GEOMOP - Michel Loos, loos@usp.br 

With the acception of the ADF stuff, these scripts/ programs are not available from our ftp site. Most of these initiatives (with the exception of MOLPRO, Jaguar and GEOMOP) have been personal inititatives, you should therefore contact the person listed above rather than the developers of the programs themselves.