[gmx-users] Read .xtc files via perl

Mark Abraham Mark.Abraham at anu.edu.au
Thu Oct 15 16:16:56 CEST 2009


rversace at ccny.cuny.edu wrote:
> Dear GROMACS users,
> 
> Does anyone know if there is some xdr library that allow to read .xtc trajectories via perl? I'm trying to write a perl script to loop over .xtc trajectories and so far I found only ways to read them in fortran.

No, but it ought to be straightforward to use http://www.swig.org/ to 
wrap the 
http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library, 
since this is what it is for. Good luck!

Mark



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