On Fri, 26 Feb 2010, Liz Potterton wrote:
> Miri,
>
> For matching similar small molecules you can try in CCP4mg as described at
>
> http://www.ysbl.york.ac.uk/~ccp4mg/ccp4mg_help/superpose.html#interactive_selection
>
> the 'user defined' superposition option with 'monomer' mode. This does 2D
> graph isomorphism for the atoms in one residue.
>
> Liz
Thanks will give it a ago.
Miri
|