VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Nov 17 2021 - 20:19:32 CST

renumber what where and for what purpose?

On Wed, Nov 17, 2021 at 9:17 PM Georcki Ropon <groponp_at_gmail.com> wrote:

> There is pathway to renumber it, with tcl?
>
>
> Best,
>
> Geo.
>
> On Nov 17, 2021, at 21:14, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>
> You cannot change the "serial" property. It is "index + 1" and both are
> read-only.
>
> On Wed, Nov 17, 2021 at 8:37 PM Georcki Ropon <groponp_at_gmail.com> wrote:
>
>> Dear user,
>>
>> I want change serial atom number , my number start with 3000 but I want
>> all number (para chain B) start 1 2 3 4 ….
>>
>> Bellow my code but not fix it.
>>
>> mol new prot_orient_add_ter.pdb
>>
>> set prob [atomselect top "segid PROB"]
>>
>> set serials [$prob get serial]
>>
>> set count 0
>> foreach atom $serials {
>> $prob set serial $count
>> incr $count
>>
>> }
>>
>> set all [atomselect top all]
>> $all writepdb renum.pdb
>> quit
>>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!u5fRsS3jJKT4rSoPR5EF112WQU4eqbmfW1sua8yRFAFkT0WIdSjwxsoFGoeACtL4wQ$
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!u5fRsS3jJKT4rSoPR5EF112WQU4eqbmfW1sua8yRFAFkT0WIdSjwxsoFGoeACtL4wQ$ 
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.