Yes - further down in your output below where it says 'ACTION SETUP'
it should say something like "Selected 1 residues".
-Dan
On Wed, Mar 13, 2019 at 12:57 PM Kung, Ryan <ryan.kung.uleth.ca> wrote:
>
> Thanks for the quick reply. I have tried it and it looks like it works. I
> just wanted to double check what was happening. My output was:
>
>
> grid grid.out 40 .5 40 .5 40 .5 name grids byres :5.C1,C2,C3,C4,C5,C6 pdb
> grid_test.pdb max .4
>
> [grid grid.out 40 .5 40 .5 40 .5 name grids byres :5.C1,C2,C3,C4,C5,C6 pdb
> grid_test.pdb max .4]
>
> GRID:
>
> Calculating positive density.
>
> -=Grid Dims=- X Y Z
>
> Bins: 40 40 40
>
> Origin: -10 -10 -10
>
> Spacing: 0.5 0.5 0.5
>
> Center: 0 0 0
>
> Gridding the center of mass of residues selected by the mask.
>
> Grid will be printed to file grid.out
>
> Grid data set: 'grids'
>
> Mask expression: [:5.C1,C2,C3,C4,C5,C6 ]
>
> Pseudo-PDB will be printed to grid_test.pdb
>
>
> The grid is only measuring the COM for the six atoms specified and not for
> the total residue correct?
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Received on Wed Mar 13 2019 - 10:30:02 PDT
