[Chimera-users] Cannot resample to voxel size of 1
ryanharlich at hotmail.com
Mon Jul 22 12:03:52 PDT 2019
I think you missed the point. I am trying to take an existing surface and resample it to a grid Spacing of 1. I am not sure I see the point of making a new map.
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From: Elaine Meng <meng at cgl.ucsf.edu>
Sent: Monday, July 22, 2019 11:59:06 AM
To: Ryan Harlich <ryanharlich at hotmail.com>
Cc: chimera-users at cgl.ucsf.edu BB <chimera-users at cgl.ucsf.edu>
Subject: Re: [Chimera-users] Cannot resample to voxel size of 1
You can make a new map of whatever grid spacing you want without any atoms using “vop new”:
I hope this helps,
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Jul 22, 2019, at 11:33 AM, Ryan Harlich <ryanharlich at hotmail.com> wrote:
> Hi Chimera Bug Team,
> I am unable to resample surface to a grid spacing of 1 to be 1 voxel.
> Currently I do this:
> 'molmap #2 6 gridSpacing 1\n'
> 'vop resample #3 onGrid #2.1\n'
> But this requires me to have a pdb structure. I would like to do this without a pdb structure.
> Another alternative is I could automatically without GUI interface make a 3 atom pdb structure with python script that is the size of the surface’s boundary box. Although there is no way to get surface’s boundary box x,y,z.
> Any help would be much appreciated. Option 1 would be a much better approach.
> Ryan Harlich
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