[phenixbb] Calculating the transformation matrix of density map alignment
pafonine at lbl.gov
Wed Dec 23 10:06:52 PST 2020
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.
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 <pafonine at lbl.gov
> <mailto:pafonine at lbl.gov>> wrote:
> Hi Ahmad,
> phenix.match_maps is the tool to superpose maps and models.
> On Sun, Dec 20, 2020, 1:38 PM Ahmad Khalifa
> <underoath006 at gmail.com <mailto:underoath006 at gmail.com>> 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.
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