[Chimera-users] how to fit the em density map of crystal

[Yaowang Li]

Dear Elaine,

thank you for your suggestion.
I want to fit using a peptide structure (a PDB file). It is a crystal's
map, so we can see the regular arrangement in this map . Not like the map
of single molecule or complex come from the single particle analysis,  it
contains many molecules were arranged in a special way. I used the tools of
dust, filter, segment, etc. But I did not obtain  a good fit, it is
possible that I am not familiar with Chimera.  In addition, the map is not
perfect, a part of map is not the exactly same to the another part, but it
should be the same based on the space group.
Is it possible that I fit one peptide molecule inside first, and then
rotate and translate it based on the space group (we have measured the unit
cell parameters)?

Best Regards,

Yaowang


On Fri, Apr 1, 2016 at 6:06 PM, Elaine Meng <meng at cgl.ucsf.edu> wrote:

> Dear Yaowang,
> It is unclear whether you want to fit the map with another map or with
> some atomic structure.  Either way, it can be done with Chimera, but the
> best strategy is really a question of scientific judgment that depends on
> both the details of your system and the available information.
>
> Chimera includes tools for filtering, segmentation, and map-map or
> map-atoms fitting.   See:
>
> <
> http://www.rbvi.ucsf.edu/chimera/data/tutorials/volumetour/volumetour.html
> >
> <http://www.rbvi.ucsf.edu/chimera/videodoc/videodoc.html>
>
> Several of these features are in the menu under Tools… Volume Data.  Click
> “Help” on any tool to see its documentation. There are also several
> commands that do mostly the same things, e.g. “fitmap”
> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/fitmap.html>
>
> Maybe researchers in this area will have more specific advice.
>
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
>
> On Apr 1, 2016, at 8:51 AM, Yaowang Li <liyaowang2911 at gmail.com> wrote:
>
> > Dear all,
> >
> > I am thinking about how to fit the EM density map of crystal.
> > cryo-EM images of crystal were collected and reconstructed to a map, but
> with a poor resolution(around 7A). In this condition, which is the best way
> to fit the map?
> >
> > Best Regards,
> > Yaowang
> > LIC, Leiden University
> >
>
>
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