Re: Problem regarding the big DCD file

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Jul 18 2013 - 18:10:51 CDT

On Thu, Jul 18, 2013 at 7:08 PM, Ajasja Ljubetič
<ajasja.ljubetic_at_gmail.com> wrote:
> 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.

what *has* changed is that there are now decent cross compilers and
since the requirements for catdcd are much lower than for VMD, it is
quite doable with a few tweaks here and there to cross compile (most
of) the molfile plugins and then catdcd and link those together.

looking good so far.

more later,
     axel.

> 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 (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.
>>
>>
>

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

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