Closed GoogleCodeExporter closed 9 years ago
is it possible to use the universe command instead of invoking the reader
directly?
Original comment by k1c2...@gmail.com
on 18 May 2013 at 3:42
MDAnalysis supports reading of Amber NCDF files and you would normally just use
a Universe:
u = MDAnalysis.Universe("amber.prmtop", "amber.ncdf")
In order to use NCDF files in other formats you will have to write an
appropriate TrajectoryReader, using the MDAnalysis.coordinates.TRJ.NCDFReader
as a starting point (see docs at
http://pythonhosted.org/MDAnalysis/documentation_pages/coordinates/TRJ.html#MDAn
alysis.coordinates.TRJ.NCDFReader ). To see how to use the underlying netcdf
library have a look at the source code, e.g.
http://code.google.com/p/mdanalysis/source/browse/package/MDAnalysis/coordinates
/TRJ.py
The documentation does not say more about the details of the NCDF reader/writer
because there's not much the user can do with it as it is. The idea is that the
readers automagically handle files without the user having to know the
underlying formats.
Hope that helps,
Oliver
Original comment by orbeckst
on 18 May 2013 at 6:14
Original issue reported on code.google.com by
k1c2...@gmail.com
on 18 May 2013 at 3:40