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Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
https://gromacswrapper.readthedocs.org
GNU General Public License v3.0
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fileformats submodule missing? #20

Closed richardjgowers closed 9 years ago

richardjgowers commented 9 years ago

I'm trying to read an ITP file, like here:

http://becksteinlab.github.io/GromacsWrapper/gromacs/core/fileformats/itp.html

And I get:

In [1]: import gromacs
In [2]: gromacs.fileformats
---------------------------------------------------------------------------
AttributeError                            Traceback (most recent call last)
<ipython-input-2-30aee3513de1> in <module>()
----> 1 gromacs.fileformats

AttributeError: 'module' object has no attribute 'fileformats'
orbeckst commented 9 years ago

Thanks for the PR & fix. Just be aware that reading of ITPs is fraught with difficulties, see most of the issues tagged with fileformat.