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Re: [ccp4bb]: Morphing with LSQMAN



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you can always superimpose your intermediate files with top3d, which will be
the easiest way.

alternatively, you can use main and pair constraints in addition to the atomic
force field to morph whatever you want. i personally prefer main to make
movies, as even complicated things as subunit movements in parallel to
conformational changes are easily accomplished and tunable to your like. -
never forget, 'morphing' is only a method to visualize ideas, not to tell the
physical truth - so the more control you have over what happens, the better it
is!

cheers

jens


phubbard@post.its.mcw.edu wrote:

> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
>
> Howdy,
>
> Does anyone know if it is possible to switch off the superimposition routine
> in the "INTERNAL" morph option in LSQMAN? Otherwise, is there an easy way to
> rotate the intermediate PDB files produced by LSQMAN to compenase.
> "CARTESIAN" morphing distorts the bound ligand, so I can't follow that
> option.
>
> Thanks
>
> AGS