Pallavi-Banerjee21 / votca

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add support for dcd trajectories #151

Open GoogleCodeExporter opened 8 years ago

GoogleCodeExporter commented 8 years ago
DCD trajectory support is needed for native NAMD support. Unfortunately, DCD is 
a very complicated format.

I guess the easiest would be to copy vmd* from the gromacs sources and change 
the functions in vmdio.c to a VOTCA trajectory reader.

The VMD files are under BSD license so that should not be a problem.

As a bonus we get all other formats supported by VMD for free.

Original issue reported on code.google.com by christop...@gmail.com on 4 Dec 2013 at 2:34

GoogleCodeExporter commented 8 years ago
I had a look at the molfile plugin:
<http://www.ks.uiuc.edu/Research/vmd/plugins/doxygen/callmolfileplugins.html#cal
lmolfileplugins>

So I think we have the following options:
- copy the dcd plugin from the vmd sources (this is BSD license)
- statically link against VMD - for that VMD/headers needs to be available at 
compile time :-(
- dynamically load the plugins at runtime - for that VMD needs to be available 
at run time

I think the last option would be the best as once we have implemented that we 
get support for all other file format of VMD for free.

Original comment by christop...@gmail.com on 16 Dec 2013 at 4:43