IPKM/python-pygmx
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Clarified docs.

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Niels Müller
2016-06-27 15:29:24 +02:00
parent 00e0279948
commit f4e2501142
1 changed files with 5 additions and 2 deletions
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pygmx/__init__.py
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@ -1,5 +1,8 @@
""" """
Python wrapper for the gromacs library. Python wrapper for the gromacs library for their file formats.
Currently this supports xtc and tpr files within the `open` function.
Trajectories in trr format may be read with `.gromacs.reader.TRRReader`, which is experimental.
""" """
import os import os
@ -18,7 +21,7 @@ FILE_EXTENSIONS = {
def open(filename): def open(filename):
"""Open a supported gromacs file with the appropiate reader.""" """Open a supported gromacs file. Currently supported file formats: tpr, xtc."""
ext = filename.split('.')[-1] ext = filename.split('.')[-1]
if ext in FILE_EXTENSIONS: if ext in FILE_EXTENSIONS:
if ext in ['xtc']: if ext in ['xtc']: