VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Dec 19 2015 - 17:48:31 CST

On Sat, Dec 19, 2015 at 6:22 PM, Urquhart, Stephen
<stephen.urquhart_at_usask.ca> wrote:
> Hello,
>
> Does anyone have experience what using molden files from deMon2k in VMD?
>
> I get the VMD error “This file is not in Molden format”, although it can be read into Molden! I assume that there’s a file parsing issue in VMD that is bouncing tags unique to deMon2k.

the best way to have this confirmed and the limitation potentially
lifted is through providing a small example file. most parsers in VMD
(or rather the molfile plugin library) are based on some kind of
reverse engineering or documented formats. however, many programs
implement their own extensions or make modifications, so that the
implementation in the molden plugin will have to be adapted as well.
this requires as many different test examples as possible.

axel.

> I’ve tried this with the latest versions of VMD, on Windows 7 and Mac OS 10.10.5
>
> thanks,
> Stephen Urquhart
>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.