Calculating the transformation matrix of density map alignment
I have two density maps that I'm trying to align, or more precisely, calculate the transformation matrix (rotation and translation) of their alignment (moving one map and aligning it with the other map). Is there a way to accomplish that using phenix or any other tool? Thanks a lot and happy holidays.
Hi Ahmad,
phenix.match_maps is the tool to superpose maps and models.
Pavel
On Sun, Dec 20, 2020, 1:38 PM Ahmad Khalifa
I have two density maps that I'm trying to align, or more precisely, calculate the transformation matrix (rotation and translation) of their alignment (moving one map and aligning it with the other map). Is there a way to accomplish that using phenix or any other tool?
Thanks a lot and happy holidays. _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
Thanks Pavel but it only takes mtz as input. I'm also only interested in
the transformation matrix to suppose one map onto the other in their
original frame of reference without superposing the maps per se.
On Sun, Dec 20, 2020, 2:19 PM Pavel Afonine
Hi Ahmad, phenix.match_maps is the tool to superpose maps and models. Pavel
On Sun, Dec 20, 2020, 1:38 PM Ahmad Khalifa
wrote: I have two density maps that I'm trying to align, or more precisely, calculate the transformation matrix (rotation and translation) of their alignment (moving one map and aligning it with the other map). Is there a way to accomplish that using phenix or any other tool?
Thanks a lot and happy holidays. _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
Hi Ahmad, no, it can take maps as Fourier maps or real-space maps: phenix.match_maps A.pdb B.pdb A.mtz B.mtz phenix.match_maps A.pdb A.mtz B.pdb B.mtz phenix.match_maps A.pdb A.mrc B.pdb B.mrc phenix.match_maps A.pdb B.pdb A.mrc B.mrc and it is general and works with any of 230 space groups and matching maps can be in different unit cells. Pavel On 12/22/20 12:36, Ahmad Khalifa wrote:
Thanks Pavel but it only takes mtz as input. I'm also only interested in the transformation matrix to suppose one map onto the other in their original frame of reference without superposing the maps per se.
On Sun, Dec 20, 2020, 2:19 PM Pavel Afonine
mailto:[email protected]> wrote: Hi Ahmad, phenix.match_maps is the tool to superpose maps and models. Pavel
On Sun, Dec 20, 2020, 1:38 PM Ahmad Khalifa
mailto:[email protected]> wrote: I have two density maps that I'm trying to align, or more precisely, calculate the transformation matrix (rotation and translation) of their alignment (moving one map and aligning it with the other map). Is there a way to accomplish that using phenix or any other tool?
Thanks a lot and happy holidays. _______________________________________________ phenixbb mailing list [email protected] mailto:[email protected] http://phenix-online.org/mailman/listinfo/phenixbb http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected] mailto:[email protected]
On 20/12/2020 21:33, Ahmad Khalifa wrote:
I have two density maps that I'm trying to align, or more precisely, calculate the transformation matrix (rotation and translation) of their alignment (moving one map and aligning it with the other map). Is there a way to accomplish that using phenix or any other tool?
This sounds like one of the tasks that can be performed with EMDA https://www.ccpem.ac.uk/training/icknield_2019/correlation_validation_cryoem... https://gitlab.com/ccpem/emda/-/tree/master/docs
The EMAN2 script e2spt_align.py can do that, and it will save the transformation matrix in a JSON file.
-Tom
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Thomas D. Grant, Ph.D.http://medicine.buffalo.edu/content/medicine/faculty/profile.html?ubit=tdgra...
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Department of Structural Biology
Jacobs School of Medicine and Biomedical Scienceshttp://medicine.buffalo.edu/
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From:
participants (4)
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Ahmad Khalifa
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Grant, Thomas
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Paul Emsley
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Pavel Afonine