Re: Getting the z coordinate

From: Isaac Asare Kwaku (iasarekwaku_at_gmail.com)
Date: Mon May 17 2021 - 12:21:14 CDT

Thank you very much! it worked!

On Mon, May 17, 2021 at 1:17 PM Pawel Kedzierski <
pawel.kedzierski_at_pwr.edu.pl> wrote:

> W dniu 17.05.2021 o 17:59, Isaac Asare Kwaku pisze:
>
> Hello guys,
>
> This is more of a tcl script problem but I was hoping I could get some
> help. I am measuring the center of mass of two different residues of a
> protein in VMD. Now I want to find the difference between only the z
> coordinates of the center of mass of the residues. The command "measure
> center $sel weight mass" gives me the x,y,z coordinates of the center of
> mass but I am looking for a way to store just the z coordinates so I can
> find the difference between them. I have tried to assign the value
> of "measure center $sel weight mass" to a variable as a list so I use
> "lindex listname 2" to get the z coordinate. However the assignment of the
> output of the "measure" command has proved futile. How do I get only the z
> coordinate of the center of mass?
>
> Regards,
> Isaac.
>
> Dear Isaac,
>
> Likely you have some Tcl syntax mistake. It works for me like this:
>
> vmd > set all [atomselect top all]
> atomselect0
> vmd > set cent [measure center $all]
> 29.005212783813477 17.393484115600586 12.841275215148926
> vmd > lindex $cent 2
> 12.841275215148926
>
> Cheers,
>
> PaweĊ‚
>
>

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