[BiO BB] molecular modelling

Dan Bolser dmb at mrc-dunn.cam.ac.uk
Fri May 21 12:37:19 EDT 2004

On Fri, 21 May 2004 bb2duprm at uco.es wrote:

>I have a question about molecular modelling. I have the 3D structure of
>a protein and I would like to know the effect that one mutation produces
>into that structure. I only have free tools, like Swiss PDB Viwer,
>Modeller, etc. Someone knows how can I do it or what software could I
>use to that purpose? Thank you very much.

You could try YASARA, but chances are you would never see a major change
in structure after changing 1 AA (although the AA may be critical for
folding in vivo).

You could try measuring the energy of the structure before and after the
change (with some minimization) to see if the resulting structure is

If you are looking at a very specific thing, like a binding site residue,
YASARA should do the job perfectly.

>BiO_Bulletin_Board maillist  -  BiO_Bulletin_Board at bioinformatics.org

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