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schwede
openstructure
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1b1874c6
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1b1874c6
authored
7 years ago
by
Rafal Gumienny
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fix: SCHWED-3097 Add IPython OST app
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822b6cce
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1b1874c6
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@@ -254,6 +254,19 @@ $OST_ROOT/bin/molck "$@"
##############################################################################
$OST_ROOT/bin/ost "$@"
%appenv IPython
##############################################################################
# NOTEBOOK ENV
##############################################################################
export DNG_ROOT=$OST_ROOT
export DNG_INITDIR=${DNG_ROOT}/lib64/python2.7/site-packages/ost
%apprun IPython
##############################################################################
# OST IPYTON APP
##############################################################################
. $VIRTUALENV_DIR/bin/activate && ipython -i $DNG_INITDIR/ost_startup.py "$@"
%appenv Notebook
##############################################################################
# NOTEBOOK ENV
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@@ -277,9 +290,10 @@ Singularity container for OST $OPENSTRUCTURE_VERSION.
This container includes the following apps:
* OST - OpenStructure binary
* IPython - OST-powered iPython shell
* Notebook - A Jupyter notebook palyground with OST and nglview
* lDDT - The Local Distance Difference Test
* Molck - Molecular checker
* Notebook - A Jupyter notebook palyground with OST and nglview
To see the help for each individual app run:
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