VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Mon Apr 29 2019 - 11:15:44 CDT

Use something like:

molinfo top set {a b c alpha beta gamma} "$a $b $c $alpha $beta $gamma"

Jerome

On Mon, 29 Apr 2019 at 16:38, Steven De Volder <Steven.DeVolder_at_ugent.be>
wrote:

> Hi all,
>
>
> I'd like to ask if there is a way to do the following via commands in a
> .tcl file
>
> like so:
>
> vmd -e unitcellsettings.tcl).
>
>
> What I would like to set automatically is:
>
> In the Main VMD panel, go to "Extensions → Analysis → Radial Pair
> Distribution Function" and under the pull- down Utilities menu, select Set
> unit cell dimensions. Enter *a, b, c, alpha, beta, gamma*.
>
>
> Thanks in advance!
>