VMD-L Mailing List

From: Josh Vermaas (vermaasj_at_msu.edu)
Date: Mon Jan 31 2022 - 11:43:36 CST

What is your selection for protein? I think contactFreq needs two
arguments, one that is atomselection text that picks out protein, and
another text that picks out the ligand. "Selection for protein" is not
valid atomselection text.

-Josh

On 1/31/22 11:39 AM, Maryam wrote:
> Hello
>
> I'd like to find the number of close contacts and contact areas for a
> receptor-ligand interactions. I use the
> source ContactFreq.tcl
> in the TkConsole and then run
> contactFreq "selection for protein" "selection for ligand"
> but it gives me this error
> atomselect: cannot parse selection text: selection for protein and noh
> and within 4 of (selection for ligand and noh)
> Is there a point I am missing?
> Your help is appreciated.
>
> Thanks 

-- 
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!pe7Lz-6Qsuy_gWQi87O3tLim30tTDPDYEk9olY8g-etwz2cuvpB9sVg9jaVwHAwOGQ$