VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jul 17 2007 - 20:16:27 CDT

Erm, please forgive me, the second line of the second example should read
set IndoleNitrogen [atomselect top "prot and name NE1"]

Peter Freddolino wrote:
> 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
>>
>
>