Subject: MOLDEN display

From: Per-Ola Norrby <[email-masked]>
Date: Mon, 18 Feb 2002 14:48:00 +0100

Dear CCL:ers,

	I want to visualize orbitals in a molden file.  Currently, 
I'm using molden for this (logically...), but for the size of system 
I'm currently looking at (ca 300 basis functions), drawing one 
3D-orbital on screen requires ca 5 minutes (I'm working on an SGI 
O2).  Any tips on a faster program which is able to read molden 
files?  Alternatively, any fast orbital display program and a 
conversion utility?  I have access to Spartan (an old version) and 
Molekel, if someone happens to have a way to convert my molden-file 
(molden -> mkl would be ideal).  I also have Molecule on a Macintosh, 
and a couple of Linux machines, if you have any tips for those. 
Please, send no suggestions about Windows programs to me, I have no 
such machines, and will not get any.

	Best regards,

	Per-Ola Norrby
-- 

^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Per-Ola Norrby, Assoc. Professor, http://compchem.dfh.dk/PeO/
Technical University of Denmark, Dept. of Chem., Org. Chem.
Building 201, Kemitorvet, DK-2800 Kgs. Lyngby, Denmark
Email: [email-masked]  tel +45-45252123,  fax +45-45933968