Re: [ccp4bb] Moving copies to be close to one unit cell.

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Moving copies to be close to one unit cell.
From: FRANCOIS XAVIER CHAUVIAC f {- dot -} chauviac {- at -} MAIL {- dot -} CRYST {- dot -} BBK {- dot -} AC {- dot -} UK
Date: 2009-10-21

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From: "X Xiong, Cellular & Molecular Medicine" x {- dot -} l {- dot -} xiong {- at -} BRISTOL {- dot -} AC {- dot -} UK
Date: 2009-10-21

Subject: Re: Moving copies to be close to one unit cell.
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2009-10-21

You can do it easily in coot:

display your objects.

Then display the symmetry (draw, cell & symmetry) with a large enough
radius.

Then File: save symmetry coordinates, click on one atom of one of the
equivalent copies you're interested in.

You have to repeat the process several times. It can help to draw the cell.

HTH,

Fred.

FRANCOIS XAVIER CHAUVIAC wrote:
> Dear crystallographers,
>
> After solving a structure by molecular replacement I have 16 copies of
> my protein in the asymetric unit. However in the PDB file they are
> scattered over several unit cells.
> I would like to know if there is an easy way or software to move all
> of the 16 copies close to one unit cell on my PDB file, so that the
> packing is compact in the PDB file.
>
> Thank you very much in advance
>
> Regards
>
> FX CHAUVIAC
>

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