From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jul 19 2013 - 05:03:22 CDT
On Fri, Jul 19, 2013 at 1:10 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> 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.
ok. it needed a bit more tweaking and hacking, but i think i have now
functional catdcd binaries for windows and even wrapped them into a
little installer package for convenient deployment.
http://git.icms.temple.edu/rpm/windows/testing/
please try it out and let me know how well it does (not) work.
thanks,
axel.
> 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.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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