VMD-L Mailing List

From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Mon Dec 20 2010 - 09:31:41 CST

Hi Jerome,

Your new IED script uses MLab module ...This seems to be a non-standard
python module ... I couldn't access it from my distribution installation
manager (opensuse 11.3, python 2.6) ..
When googling for the "MLab" python module, I get different modules
that match this .. I installed some of them but still I get the error:
"No module MLab" when I do "gopython ied.py" in VMD ...

Could you please tell me what is this module and how to get it installed ?

Thanks

Best
Vlad

On 11/03/2010 11:44 AM, Jérôme Hénin wrote:
> Hi guys,
>
> Here is the numpy port of IED. I did not port or test the "calculate
> ED from trajectory" option, but loading the eigenvectors from a file
> should work.
>
> Let me know how it works for you.
> Jerome
>
>
> On 13 October 2010 23:33, Jérôme Hénin <jhenin_at_ifr88.cnrs-mrs.fr> wrote:
>
>> Hi everyone,
>>
>>
>>> The cleanest way would be, of course, to rewrite IED to use numpy.
>>>
>> Coincidentally, I have done (most of) that work recently. I will
>> gladly share the result, but right now I can't.
>>
>> I will post the code here in a few days (as soon as I come home and
>> have a little time).
>>
>> Cheers,
>> Jerome
>>
>> 

-- 
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cellular and Developmental Biology
Roentgenstrasse 20
48149 Muenster, Germany
tel: +49-251-70365-324
fax: +49-251-70365-399
email: vlad.cojocaru[at]mpi-muenster.mpg.de