From chemistry-request@server.ccl.net Mon Feb 18 08:48:30 2002 Received: from mail.kemi.dtu.dk ([130.225.67.150]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g1IDmTZ31089 for ; Mon, 18 Feb 2002 08:48:29 -0500 Received: from [192.38.70.75] (pon.ok.dtu.dk [192.38.70.75]) by mail.kemi.dtu.dk (8.11.6/8.11.4) with ESMTP id g1IDm2J09788 for ; Mon, 18 Feb 2002 14:48:10 +0100 Mime-Version: 1.0 X-Sender: pon@mail.kemi.dtu.dk Message-Id: Date: Mon, 18 Feb 2002 14:48:00 +0100 To: chemistry@ccl.net From: Per-Ola Norrby Subject: MOLDEN display Content-Type: text/plain; charset="us-ascii" ; format="flowed" 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: pon@kemi.dtu.dk tel +45-45252123, fax +45-45933968