[chimerax-users] Fit in Map - Overlap

[Tom Goddard]

Hi Luis,

  How about instead measure the enclosed volume of surfaces for map #1 and map #2 and the #1 masked to the surface of #2, ChimeraX commands

	measure volume #1
	measure volume #2
	volume mask #1 surface #2
	measure volume #3

Those give you the 3 numbers you want in cubic Angstroms instead of grid points.  If you want grid points divide by the voxel volume.

	Tom


> On Aug 28, 2020, at 12:38 PM, Luis José Castillo Valverde <luis.castillo.valverde.98 at gmail.com> wrote:
> 
> Hi,
> 
> As I understand it, the overlay resulting from the "Fit in Map" command corresponds to the sum over the fit map grid points of the product of the fit map value and the reference map value at that point, determined by trilinear interpolation.
> 
> I want to calculate the percentage of overlap of two maps, it would be as simple as calculating the formula "min ((sum of the grid points of map 1), (sum of the grid points of map 2)) / (overlap obtained from the fit ) "the problem I have that I do not know how to obtain those values (" sum of the grid points of map 1 "," sum of the grid points of map 2 "); I tried to do "Fit in Map" of map 1 with map 1 and use the overlap that returns as the sum of the points of map 1 but it didn't work.
> 
> So I wanted to know if you can tell me how to get the sum of the grid points of a given map.
> 
> 
> Regards,
> 
> Luis
> 
> 
> -- 
> 
> Luis José Castillo Valverde
> Ingeniero en Computación, TEC Costa Rica
> Estudiante de maestría (MSc) académica en Computación, TEC Costa Rica
> Telegram: @LCastillo98
> LinkedIn: luisjosecastillo98
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