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schwede
QMEAN
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3f0bae4c
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3f0bae4c
authored
5 years ago
by
Gerardo Tauriello
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Minor doc fixes.
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doc/source/getting_started.rst
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3f0bae4c
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@@ -42,17 +42,17 @@ installed on your system.
...
@@ -42,17 +42,17 @@ installed on your system.
Build QMEAN
Build QMEAN
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
QMEAN requires the OpenStructure framework with all its depencies to be
QMEAN requires the OpenStructure framework with all its depencies to be
installed. Please follow the instructions on
installed. Please follow the instructions on
`openstructure.org <http://www.openstructure.org/>`_ to compile from source.
`openstructure.org <http://www.openstructure.org/>`_ to compile from source.
Once you successfully compiled OpenStructure, you need following python modules:
Once you successfully compiled OpenStructure, you need following python modules:
* numpy
* numpy
* scipy
* scipy
* matplotlib
* matplotlib
To compile QMEAN, change to the QMEAN directory, make a build directory and run
To compile QMEAN, change to the QMEAN directory, make a build directory and run
CMake in there by giving it the path to your
o
pen
s
tructure installation
CMake in there by giving it the path to your
O
pen
S
tructure installation
(you might want to activate optimizations with -DOPTIMIZE):
(you might want to activate optimizations with -DOPTIMIZE):
.. code-block:: bash
.. code-block:: bash
...
@@ -85,7 +85,7 @@ Python. Following command enables QMEAN in your current shell:
...
@@ -85,7 +85,7 @@ Python. Following command enables QMEAN in your current shell:
export PYTHONPATH=path_to_qmean_build_dir/stage/lib64/python2.7/site-packages:$PYTHONPATH
export PYTHONPATH=path_to_qmean_build_dir/stage/lib64/python2.7/site-packages:$PYTHONPATH
You can add this command to .bashrc, so it is set permanently.
You can add this command to
``
.bashrc
``
, so it is set permanently.
If everything is setup correctly, you can test the setup in an
If everything is setup correctly, you can test the setup in an
interactive ost session by typing: from
"
qmean import *
"
interactive ost session by typing: from
``
qmean import *
``
or, even better, run the example scripts from the documentation.
or, even better, run the example scripts from the documentation.
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