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Link directly to PDF files; remove symlinks.
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benmwebb committed Sep 4, 2015
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36 changes: 20 additions & 16 deletions doc/study.rst
Original file line number Diff line number Diff line change
Expand Up @@ -121,7 +121,7 @@ where the :meth:`Table.write_asgl`
method writes out an ASGL script and the MDT data in a form suitable for
plotting (which we then execute with ASGL using Python's
:meth:`os.system` method). This gives an
:download:`impact of resolution plot <html/pdf/impact-of-resolution.pdf>`.
:download:`impact of resolution plot <../constr2005/impact-of-resolution/asgl2-a.pdf>`.


.. _chembonds:
Expand All @@ -142,8 +142,8 @@ length. The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/bonds/asgl.py
:language: python

giving :download:`a set of bond plots <html/pdf/bonds.pdf>`. Notice that
here we use the :meth:`Table.reshape` method,
giving :download:`a set of bond plots <../constr2005/bonds/asgl1-a.pdf>`.
Notice that here we use the :meth:`Table.reshape` method,
which can reshape a table by reordering the features, and/or reducing the bin
ranges (offset or shape) of these features. In this case we don't change the
feature order, or the offset (leaving it at the default 0,0,0) but we do
Expand Down Expand Up @@ -197,7 +197,7 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/angles/asgl.py
:language: python

giving :download:`a set of angle plots <html/pdf/angles.pdf>`.
giving :download:`a set of angle plots <../constr2005/angles/asgl1-a.pdf>`.

The situation is similar to that for the chemical bonds, except that there are
also four cases of bi-modal (as opposed to mono-modal) distributions:
Expand Down Expand Up @@ -229,7 +229,8 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/impropers/asgl.py
:language: python

giving :download:`a set of improper plots <html/pdf/impropers.pdf>`.
giving
:download:`a set of improper plots <../constr2005/impropers/asgl1-a.pdf>`.

The final MODELLER MDT library is produced with:

Expand All @@ -254,7 +255,8 @@ and
.. literalinclude:: ../constr2005/chi1/impact-of-resolution/asgl.py
:language: python

giving :download:`this output <html/pdf/chi1-impact.pdf>`
giving
:download:`this output <../constr2005/chi1/impact-of-resolution/asgl2-a.pdf>`
which clearly shows that X-ray structures at resolution of at least 2.0 Å
are just fine. X-ray structures above that resolution and NMR structures
(whose resolution is set artificially to 0.45 Å for the purposes of MDT
Expand All @@ -273,7 +275,7 @@ and the contents then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/chi1/asgl.py
:language: python

giving :download:`a set of χ1 plots <html/pdf/chi1.pdf>`.
giving :download:`a set of χ1 plots <../constr2005/chi1/asgl1-a.pdf>`.

The weights, means, and standard deviations of the Gaussians were obtained
by least-squares fitting with ASGL (with the script below) and are manually
Expand All @@ -300,7 +302,7 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/chi2/asgl.py
:language: python

giving :download:`a set of χ2 plots <html/pdf/chi2.pdf>`.
giving :download:`a set of χ2 plots <../constr2005/chi2/asgl1-a.pdf>`.

The final MODELLER MDT library is produced with:

Expand Down Expand Up @@ -334,7 +336,7 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/chi3/asgl.py
:language: python

giving :download:`a set of χ3 plots <html/pdf/chi3.pdf>`.
giving :download:`a set of χ3 plots <../constr2005/chi3/asgl1-a.pdf>`.
The final MODELLER MDT library is produced with:

.. literalinclude:: ../constr2005/chi3/modlib.py
Expand All @@ -359,7 +361,7 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/chi4/asgl.py
:language: python

giving :download:`a set of χ4 plots <html/pdf/chi4.pdf>`.
giving :download:`a set of χ4 plots <../constr2005/chi4/asgl1-a.pdf>`.
The final MODELLER MDT library is produced with:

.. literalinclude:: ../constr2005/chi4/modlib.py
Expand All @@ -384,7 +386,7 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/phi/asgl.py
:language: python

giving :download:`a set of Φ plots <html/pdf/phi.pdf>`.
giving :download:`a set of Φ plots <../constr2005/phi/asgl1-a.pdf>`.
The final MODELLER MDT library is produced with:

.. literalinclude:: ../constr2005/phi/modlib.py
Expand All @@ -409,7 +411,7 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/psi/asgl.py
:language: python

giving :download:`a set of Ψ plots <html/pdf/psi.pdf>`.
giving :download:`a set of Ψ plots <../constr2005/psi/asgl1-a.pdf>`.
The final MODELLER MDT library is produced with:

.. literalinclude:: ../constr2005/psi/modlib.py
Expand Down Expand Up @@ -440,13 +442,14 @@ distributions with finer sampling of 0.5°:
.. literalinclude:: ../constr2005/omega/make-mdt.py
:language: python

The :download:`distribution in raw form <html/pdf/omega.pdf>`
The :download:`distribution in raw form <../constr2005/omega/asgl1-a.pdf>`
is then plotted with:

.. literalinclude:: ../constr2005/omega/asgl.py
:language: python

and :download:`in logarithmic form <html/pdf/omega-log.pdf>` with:
and :download:`in logarithmic form <../constr2005/omega/asgl2-a.pdf>`
with:

.. literalinclude:: ../constr2005/omega/asgl-log.py
:language: python
Expand Down Expand Up @@ -482,7 +485,8 @@ The contents of the MDT table are then plotted with ASGL as follows:
.. literalinclude:: ../constr2005/omega/weights/asgl.py
:language: python

giving :download:`an omega weights plot <html/pdf/omega-weights.pdf>`.
giving
:download:`an omega weights plot <../constr2005/omega/weights/asgl1-a.pdf>`.

The library :file:`omega.py` is edited manually to replace the
means and standard deviations with `179.8 0.0 2.3 2.3`.
Expand All @@ -508,7 +512,7 @@ They are plotted with
.. literalinclude:: ../constr2005/phipsi/asgl.py
:language: python

giving :download:`a set of Φ/Ψ plots <html/pdf/phipsi.pdf>`.
giving :download:`a set of Φ/Ψ plots <../constr2005/phipsi/asgl1-a.pdf>`.

The distributions are clearly not 2D Gaussian functions and need to be
approximated by 2D cubic splines. Exploring and visualizing various smoothing
Expand Down

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