AMBER Archive (2009)

Subject: Re: [AMBER] How to visualize PCA results without IED?

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Tue Jul 28 2009 - 04:58:50 CDT

Hi Catherine,

The problem with VMD+IED is a linkage problem between the pre-compiled
VMD binaries, the python and numeric python installed on your system...
If you compile VMD from source and correctly link it against the
installed python version, everything will work fine (of course take care
to link also correctly the Numeric and tkinter modules, which should be
installed as well).

Compiling VMD from source is not a trivial thing to do but I am sure
that with the help of your computer administrator, following exactly the
steps described on the VMD webpage and correctly editing the configure
file, you'll succeed !!

After doing once, you can repeat the same procedure every time you want
to upgrade your VMD version ....

Cheers
Vlad

Catein Catherine wrote:
> Dear Sir/Madam,
>
>
>
> I have done the PCA analysis to generated two files, evec and mcovar-ca. However, I cannot visualize the data. I noted the some of the users suggested to use IED+VMD. I tried many times, maybe due to the compatibility problems. I always found the error of "home/vmd-1.8.4/lib/vmd/scripts/python/Tkinter.py, line 63, in? from Tkconstants import* ImportError: No module named Tkconstants."
>
>
>
> I tried to install higher version of VMD, but I also did not work. I am writing to ask if there are any other tools to analysis the PCA results other than IED+VMD?
>
>
>
> Best regards,
>
> CAt
>
> _________________________________________________________________
> Show them the way! Add maps and directions to your party invites.
> http://www.microsoft.com/windows/windowslive/products/events.aspx
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> 

-- 
----------------------------------------------------------------------------
Dr. Vlad Cojocaru

EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg

Tel: ++49-6221-533202
Fax: ++49-6221-533298

e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

----------------------------------------------------------------------------
EML Research gGmbH
Amtgericht Mannheim / HRB 337446
Managing Partner: Dr. h.c. Klaus Tschira
Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
http://www.eml-r.org
----------------------------------------------------------------------------

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber