VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Sep 30 2013 - 03:20:01 CDT

On Mon, Sep 30, 2013 at 9:56 AM, sunyeping <sunyeping_at_aliyun.com> wrote:
> Thank you for your reply. But the list of atom index contain a larger number
>> of atoms and is it inpossible to make selection one by one, what should I
>> do?

i don't understand, why it would be a problem to do this one by one?
this is a task that is *very* easily done by a script and computers
don't have a problem with repetitive tasks.

that being said, you can - of course - also make a selection for a
whole list of indices. please read the VMD user's guide. it explains
the atom selection language. remember, that documentation almost never
presents you with a ready-to-copy solution, but has only pieces of a
solution that you have to assemble into a complete script.

axel.

>>
>> Best Regards,
>
> Yeping Sun
>
> Institute of Microbiology, Chinese Academy of Sciences
>
> ------------------------------------------------------------------
>
> 发件人：Axel Kohlmeyer <akohlmey_at_gmail.com>
> 发送时间：2013年9月29日(星期日) 22:27
> 收件人：孙业平 <sunyeping_at_aliyun.com>
> 抄　送：Vmd l <vmd-l_at_ks.uiuc.edu>
> 主　题：Re: vmd-l: get resisue names from atom index number
>
> On Sun, Sep 29, 2013 at 8:33 AM, sunyeping <sunyeping_at_aliyun.com> wrote:
>> Dear all,
>>
>> I have a set of atom index numbers, and how can I list the residues they
>> belong? Thanks
>
> make a selection of those atoms and use "get resname"
>
> axel.
>
>>
>> Yeping Sun
>>
>> Institute of Microbiology, Chinese Academy of Sciences
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy. 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.