[gmx-developers] Source code for TNG file format

Magnus Lundborg magnus.lundborg at scilifelab.se
Fri Mar 31 13:20:16 CEST 2017


Hi,

If all of your codebase (like most codebases) assumes that the topology 
does not change I would suggest not allowing that in your reader. This 
is a feature that could be potentially useful, but currently I think 
most programs would do best just to stick to their current needs. I'll 
send you the source code for the TNG plugin for VMD off list. Hopefully 
that will help you get started.

Cheers,

Magnus

On 03/31/2017 12:56 PM, Kashish Punjani wrote:
> Thanks for the help
>
> I am making my own reader to read TNG file format but i am not able to 
> figure out approach to implement time dependent topology because my 
> entire codebase assumes number of atoms to be fixed. Could you me give 
> some ideas regarding the implementation?
>
> Many Thanks,
> Kashish
>
> On Sat, Mar 11, 2017 at 5:53 AM, Eric Irrgang <ericirrgang at gmail.com 
> <mailto:ericirrgang at gmail.com>> wrote:
>
>     Depending on exactly what you're looking for, in
>     src/gromacs/fileio/ there are tngio.h and tngio.cpp (with a few
>     additional routines defined in places like trxio.h), but tngio.cpp
>     also uses src/external/tng_io/include/tng/tng_io.h and related
>     code. The TNG project itself is hosted
>     at git://git.gromacs.org/tng.git <http://git.gromacs.org/tng.git>
>
>     On Fri, Mar 10, 2017 at 6:38 PM, Kashish Punjani
>     <kashish1102 at gmail.com <mailto:kashish1102 at gmail.com>> wrote:
>
>         Hello developers, I would be glad if you guys could give me
>         the source code where TNG file is being read and written.It's
>         really urgent.
>
>         Thanks :)
>
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