Re: [PyMOL] Symmetry expanding electron density maps

[Engin O. <eo...@st...>]

This sounds more like a testimonial, but 1.1 did seemlessly and exactly 
what I wanted, so thanks a bunch.

Engin

DeLano Scientific wrote:
> Engin,
>
> This is one of the improvements present in the current open-source code and
> our latest PyMOL 1.1 builds.
>
> PyMOL will nowadays automatically expand the map based on the symmetry
> defined for the molecule(*) containing the target atoms about which the map
> is being drawn.  Also, if you ask for a buffer which extends beyond the map,
> then it will be automatically generated based on symmetry.
>
> One potential gotcha is that the target atom selections cannot span multiple
> objects when symmetry expansion is being relied upon.
>
> Cheers,
> Warren
>
> (*) NOTE: not the map -- PyMOL maps don't have symmetry records at present
>
> --
> DeLano Scientific LLC
> Subscriber Support Services
> mailto:su...@de...
>
>
> -----Original Message-----
> From: pym...@li...
> [mailto:pym...@li...] On Behalf Of Engin Ozkan
> Sent: Thursday, June 19, 2008 4:34 PM
> To: pym...@li...
> Subject: [PyMOL] Symmetry expanding electron density maps
>
> Hi everyone,
>
> I am trying to expand a map beyond the full asymmetric unit cell to display
> electron density in pymol. I thought there might be a way to use symmetry
> operators to expand the map range within pymol (I don't think symexp works
> for maps, but maybe I'm messing it up) . I will be displaying several asu.
> I would also appreciate to learn if there is an easy way to reproduce a map
> to cover many as. unit cells in a program like mapman.
>
> Thanks,
>
> Engin Ozkan
> -----------
> Postdoctoral Fellow
> Stanford University
>
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