On 06/06/2024 04:00, Devbrat Kumar wrote:
--
Dear Paul,
Thank you for your response. I wanted to compare a Coulomb potential
map to an electron density map. Before aligning these maps, I need to
bring them to similar parameters, which requires rescaling one map to
match the other. After that, I can proceed with density subtraction.
I hope this clarifies my query. Sorry for any confusion.
Thank you again.
Regards
Devbrat
On Wed, Jun 5, 2024, 7:56 PM Paul Emsley <pems...@mrc-lmb.cam.ac.uk>
wrote:
On 05/06/2024 07:00, Devbrat Kumar wrote:
--
Hello Everyone,
Hello Devbrat,
I have a query regarding the resampling of cryoEM density to
match crystal density to obtain a density difference map.
Specifically, I am trying to determine if it is feasible to
resample a cryoEM map with an XRD density map. However, each time
I attempt this, the resampling output provides an arbitrary ASU
resample map, resulting in a significant loss of major density.
I have been using Coot and Chimera for this process but have not
achieved the desired outcome. Please guide me or suggest how to
move forward with this. My goal is to create an accurate final
density difference map.
It is not clear to me exactly what the problem is.
In Coot speak, "resampling" is (merely) changing the grid sampling
so that the map appears (typically) on a finer grid.
I don't think that this is what you want.
You want is, I think, "Transform Map by LSQ Model-fit" and if that
is what you used, then I can't help until I am more clear about
what you think has gone wrong.
Regards,
Paul.
Ah, OK, so you want to *rescale* not resample. The tool (in our world)
to do that is EMDA (available in CCPEM).
Paul.
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