Re: dcd to pdb for trajectory analysis

From: Aron Broom (broomsday_at_gmail.com)
Date: Thu Jul 11 2013 - 09:49:30 CDT

you should look through the VMD manual's text commands section. You could
write a script that you run at load time which just does that saving for
you. If you only need to do this infrequently, you could just use the VMD
GUI and save as a pdb over the frame range you are interested in.

On Thu, Jul 11, 2013 at 10:43 AM, Gabriel Jara <gabriel.fcq.unc.ar_at_gmail.com
> wrote:

> HI,
>
> do you try with catdcd?
>
> Gaby
>
>
> On Thu, Jul 11, 2013 at 9:40 AM, oguz gurbulak <gurbulakoguz_at_yahoo.com>wrote:
>
>> Dear NAMD users,
>>
>> I want to generate pdb files which include the same number of records
>> from a dcd file for data analysis. For example my dcd file has 4000
>> records. And I want to produce four pdb files contain 1000 records (1.pdb,
>> 2.pdb 3.pdb and 4.pdb). How can I divide a dcd file into the pdb files
>> easily and quickly ?
>>
>> Thanks for your help.
>>
>
>
>
> --
> Dr. Gabriel E. Jara
> Laboratorio de Modelado Molecular
> INQUIMAE - Instituto de Química-Física de Materiales, Ambiente y Energía
> DQIAyQF - Departamento de Inorgánica, Analítica y Química-Física
> FCEyN - Facultad de Ciencias Exactas y Naturales
> Universidad de Buenos Aires
> Intendente Güiraldes 2160 - Hall 2, 1er piso.
> Ciudad Universitaria - C1428EGA
> Buenos Aires - Argentina
> Tel: +54 11 4576 3378 /79 /80, int. 123
> ------
>
>

-- 
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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