Re: Problem regarding the big DCD file

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Jul 18 2013 - 12:08:27 CDT

Well, the mailing list archives
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/10439.html
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/8918.html
will tell you that 5 years ago catDCD was not being routinely built for
windows.
I guess (sadly) this still has not changed.

So you are left with several choices:
-VMD tcl scripting (perhaps in textmode)
-build catDCD from source
-kindly ask john if the revised build scripts for catDCD are complete
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/14341.html

PS:
the link for catDCD download says "

   - *Download catdcd-4.0b.tar.gz<http://www.ks.uiuc.edu/Development/MDTools/catdcd/license.cgi?files/catdcd-4.0b.tar.gz>
   * (Pre-compiled binaries for all of the target platforms supported by
   VMD, *(10/23/2009)*)

"
but this is very misleading as Windows is a platform supported by VMD.

Regards,
Ajasja

On 18 July 2013 18:42, Vibhor Agrawal <vibhora_at_g.clemson.edu> wrote:

> Hello Dr. Axel:
>
> I looked for catdcd .its a good tool but there is no plugin for the
> windows .Could you please suggest a way to include catdcd in windows version
> Thanks
> Vibhor
> Graduate student
> Clemson U
>
>
> On Tue, Jul 16, 2013 at 3:12 PM, Axel Kohlmeyer <akohlmey_at_gmail.com>wrote:
>
>> On Tue, Jul 16, 2013 at 9:07 PM, Vibhor Agrawal <vibhora_at_g.clemson.edu>
>> wrote:
>> > Hello all:
>> >
>> > I have a dcd file of 9 GB which was created by writing every 1000
>> > step(2ps).I can't oben the file in VMD as it crashes plus I wanted to
>> > resample it with every 100ps i.e 50000 step.Since I haven't dealt with
>> huge
>> > rajectory files before it would be really helpful if somone can help
>> me.Any
>> > suggestion will make life a bit easy..!
>>
>> try search the mailing list archives before asking a question that
>> seems like it is being asked about once a week.
>>
>> look for catdcd.
>>
>> axel.
>>
>>
>> >
>> > Thanks
>> > Vibhor
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>> International Centre for Theoretical Physics, Trieste. Italy.
>>
>
>

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