Eric,
I have found the MMTSB toolkit to be quite helpful for this purpose:
http://mmtsb.scripps.edu/software/mmtsbtoolset.html
I have also heard that NMRclust is OK but I decided to go with MMTSB
which was quite useful for what I needed it for.
I also hear that MOILVIEW is quite good but my understanding is that you
need an SGI to run it. If Dr. Simmerling is listening perhaps he would
like to comment if there has been any consideration of an open GL
version of this program for linux boxes to go onto the drawing board. It
is my impression that this would be appreciated by many users.
Hope that helps.
Good luck.
David.
On Tue, 2004-12-21 at 03:01, Eric Hu wrote:
> Hi, I want to see how many clusters are there in a md
> run so that I can select a representative structure
> from each cluster to do futher studies (e.g. docking).
> Previously similar questions have been asked but no
> anwsers were posted.
>
> Thanks.
>
> Eric
>
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--
Dr. David Smith
Division of Organic Chemistry and Biochemistry
Rudjer Boskovic Institute
Bijenicka 54
10002 Zagreb, Croatia
tel: +385-1-4571252
fax: +385-1-4561118
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