[phenixbb] molecular replacement keeping hetatms?

[Murpholino Peligro]

okey dokey.
thanks



2014-05-27 2:29 GMT-05:00 Tim Gruene <tg at shelx.uni-ac.gwdg.de>:

> Dear,
>
> unless the water molecules are crucial for the MR solution, you could
> carry out 'normal' MR and then superpose the original structure onto the
> solution to also transfer the water molecules.
>
> Best,
> Tim
>
> On 05/27/2014 03:50 AM, Murpholino Peligro wrote:
> > Can I do molecular replacement with phenix/phaser, keeping all the waters
> > from the first model from the first data set?
> >
> > From here (
> > http://www.phaser.cimr.cam.ac.uk/index.php/Molecular_Replacement#WATER),
> I
> > should change all the HOH labels to something like WWW. Then I guess
> that I
> > should put HOH labels again in the solution model, for the following
> > refinement in  phenix.refine.
> >
> >
> >
> > Is that it?...
> > Any suggestions?
> >
> > thanks again!
> >
> >
> >
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> >
>
> --
> Dr Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
>
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