VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed May 19 2010 - 14:39:12 CDT

On Wed, May 19, 2010 at 2:12 PM, Vikas Varshney <vv0210_at_gmail.com> wrote:
> For using only ~100 snapshots for movie, use the Frame option in FILE-->New
> Molecule. It asks for FIRST, LAST and STRIDE. You can choose these
> parameters accordingly to upload any number of frames.

if there are 3000 individual files, this will not work. these files would
first have to be combined into a single file, e.g. using catdcd.
the second alternative is to write a little tcl script that calls
mol new on the first file and then mol addfile on each successive one.

something like this:

mol new file-0.pdb waitfor all
for {set i 5} {$i < 3000} {incr i 5} {
  mol addfile [format-%d.pdb] waitfor all
}

then the rest is as usual.

cheers,
    axel.

> I have not made any movie myself so I can't help you with that but I think
> you need to have all the snapshots (that you require) within VMD before to
> start working on the movie. Hope this helps a little bit.
>
> Best Regards,
> Vikas
>
> On Wed, May 19, 2010 at 12:54 PM, Salvador H-V <chava09hv_at_gmail.com> wrote:
>>
>> Hi,
>>
>> I have around 3000 pdb files from one simulation and I want/need to make a
>> movie.  However, I don't want to use all the pdb files, say only 500.
>> Besides, I want to make the movie with only each five snapshots/pdbs
>> (0,5,10,15...500).
>>
>> Then, where and how should I specify in VMD these restrictions in order to
>> make the movie?
>> I tried directly with moviemaker but without success. I suppose that
>> should be with a tcl scritp but could you give me an idea how to do it?
>>
>> Thanks a lot fort your time and help,
>>
>> Salvador
>
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.