chemfiles (chemfiles Trajectory or file)ΒΆ
Coordinate reader |
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Coordinate writer |
The chemfiles library provides a C++ implementation of readers and writers for multiple formats. Pass in either a chemfiles.Trajectory to be converted into an MDAnalysis Universe, or pass in files to this format with the keyword format='CHEMFILES' to read the information with the chemfiles implementation. You can also write the MDAnalysis Universe back into a chemfiles object for further work.