VMD-L Mailing List

From: Josh Vermaas (vermaasj_at_msu.edu)
Date: Mon Aug 16 2021 - 10:00:14 CDT

Hi Kelly,

I don't think voltool lets you do more than two at a time. I typically
use gridData (which comes with MD Analysis, or can be installed
standalone
https://urldefense.com/v3/__https://griddataformats.readthedocs.io/en/latest/installation.html__;!!DZ3fjg!tU_dHGGRhY-VZCgTcsTcIn8TmIDJtO3r0SNP5heHdCWkdMqsuvdXhzDFSJl4CKsoHw$ ),
convert the map to a numpy array, and do my averaging in numpy-array
space. So long as you take care that the centers/axes for the grids are
aligned, you can just operate on the arrays directly.

-Josh

On 8/13/21 8:23 PM, Mcguire, Kelly wrote:
> I know that voltool can average two density maps.  Is there a way to
> do more than two at a time?
>
> Dr. Kelly McGuire
> Postdoc
> Chemistry/Biochemistry Department
> Natural Science Building, 4104A, 4106A, 4017 

-- 
Josh Vermaas
vermaasj_at_msu.edu
Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
Michigan State University
https://urldefense.com/v3/__https://prl.natsci.msu.edu/people/faculty/josh-vermaas/__;!!DZ3fjg!tU_dHGGRhY-VZCgTcsTcIn8TmIDJtO3r0SNP5heHdCWkdMqsuvdXhzDFSJmnvxNzPQ$