How to compare between electron density maps?
I want to compare electron density features of map A from protein A and map B from protein B... Because each map has a different rmsd level... ...what is the best way to compare electron density between maps? Is there a way to normalize maps or something like that? Thanks
Hi Murpholino,
You can use phenix.map_comparison map1.ccp4 map2.ccp4 contour_to_match=1.035
This will identify the contour in map2.ccp4 that encloses a volume equal to
that enclosed by the contour at 1.035 (absolute, not sigma value) in
map1.ccp4.
The method is described in Afonine, P.V., Klaholz, B.P., Moriarty, N.W.,
Poon, B.K., Sobolev, O.V., Terwilliger, T.C., Adams, P.D, Urzhumtsev, A.
(2018). New tools for the analysis and validation of Cryo-EM maps and
atomic models. https://doi.org/10.1107/S2059798318009324 Acta Cryst. D74,
814-840. bioRxiv 279844;
http://scripts.iucr.org/cgi-bin/paper?S2059798318009324
All the best,
Tom T
On Mon, May 11, 2020 at 4:19 PM Murpholino Peligro
I want to compare electron density features of map A from protein A and map B from protein B...
Because each map has a different rmsd level...
...what is the best way to compare electron density between maps?
Is there a way to normalize maps or something like that?
Thanks _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
-- Thomas C Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0010
Dear all,
I repeat my mail sent previously to ccp4bb on the same request:
Dear Murpholino,
there is a couple of articles addressing specifically this issue :
Urzhumtsev, A., Afonine, P.V., Lunin, V.Y., Terwilliger, T.C., Adams, P.D. (2014) "Metrics for comparison of crystallographic maps". Acta Cryst., D70, 2593-2606
Urzhumtseva, L., Urzhumtsev, A. (2016) "COMPaRS: stand-alone program for map comparison using quantile rang scaling". J. Appl.Cryst., 49, 2270-2275.
Best regards,
Sacha Urzhumtsev
________________________________
De : [email protected]
phenix.match_maps can overlay model B and map B onto model A and map A. A and B can be any symmetry and box (unit cell) dimensions. Model A and map A stay in its original frame of reference. Let me know should you have questions. Pavel On 5/11/20 15:18, Murpholino Peligro wrote:
I want to compare electron density features of map A from protein A and map B from protein B...
Because each map has a different rmsd level...
...what is the best way to compare electron density between maps?
Is there a way to normalize maps or something like that?
Thanks
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
participants (4)
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Alexandre OURJOUMTSEV
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Murpholino Peligro
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Pavel Afonine
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Tom Terwilliger