VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jul 17 2007 - 20:14:40 CDT

Hi Arneh,
there are three ways to do this:

-make a compound selection:
set IndoleNitrogen [atomselect top "protein and name NE1"]

-Define an atomselect macro:
atomselect macro prot {protein}
set IndoleNitrogen [atomselect top "protein and name NE1"]

-Access the text of a previous selection in a new selection:
set prot [atomselect top protein]
set IndoleNitrogen [atomselect top "[$prot text] and name NE1"]

All should be equivalent. The last may be closest to what you were
looking for.

Best,
Peter

Arneh Babakhani wrote:
> Once I've made a selection, how do I use the name of that selection in
> making another selection??? Here's what I mean:
>
> >Main< 137 % set Peptide [atomselect top "all protein"]
> atomselect17053
> >Main< 139 % set IndoleNitrogen [atomselect top "$Peptide and name
> NE1"]
> atomselect: cannot parse selection text: atomselect17053 and name NE1
> >Main< 140 % set IndoleNitrogen [atomselect top "@Peptide and name
> NE1"]
> atomselect: cannot parse selection text: @Peptide and name NE1
>
>
>
> How do I get it to parse the 'Peptide' selection??? Do I need
> brackets somewhere?
> Thanks,
>
> Arneh