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schwede
openstructure
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5726bfd3
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5726bfd3
authored
9 months ago
by
Xavier Robin
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doc: also apply to deprecated action
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modules/doc/actions.rst
+6
-6
6 additions, 6 deletions
modules/doc/actions.rst
modules/doc/deprecated_actions.rst
+11
-11
11 additions, 11 deletions
modules/doc/deprecated_actions.rst
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and
17 deletions
modules/doc/actions.rst
+
6
−
6
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5726bfd3
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@@ -20,13 +20,13 @@ Comparing two structures
You can compare two structures from the command line with the
``ost compare-structures`` action. This can be considered a command line
interface to :class:`ost.mol.alg.scoring.Scorer`
interface to
the
:class:`
~
ost.mol.alg.scoring.Scorer`
.
..
warning
::
``compare-structures`` underwent a complete rewrite in OpenStructure
release 2.4.0. The old vers
ion i
s still available as
``compare-structures-legacy`` with documentation
available
:doc:`
here
<deprecated_actions>`.
..
note
::
This is a new implementation of the ``compare-structures`` act
ion
,
i
ntroduced
in OpenStructure 2.4. The old version is still
available
as
:doc:`
compare-structures-legacy
<deprecated_actions>`.
Details on the usage (output of ``ost compare-structures --help``):
...
...
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modules/doc/deprecated_actions.rst
+
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−
11
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5726bfd3
...
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@@ -10,10 +10,10 @@ Comparing two structures - legacy implementation
.. warning::
``compare-structures
`` underwent a complete rewrite in OpenStructure
release 2.4.0. Here we keep the original documentation. Call with
`
`compare-structures
-legacy`` instead of ``
compare
-
structures
`
`
as documented
below
.
The
``compare-structures
-legacy`` is the deprecated, original action to
compare structures. Consider using the new
:ref:
`compare-structures
action<ost
compare
structures
>
`
which utilizes the
latest lDDT implementation
.
You can compare two structures in terms of quaternary structure score and
lDDT scores between two complexes from the command line with the
...
...
@@ -51,11 +51,11 @@ In summary it performs the following steps:
same requirements on your OST installation (needs compound library, ClustalW,
numpy and scipy).
Details on the usage (output of ``ost compare-structures --help``):
Details on the usage (output of ``ost compare-structures
-legacy
--help``):
.. code-block:: console
usage: ost compare-structures [-h] -m MODEL -r REFERENCE [-v VERBOSITY]
usage: ost compare-structures
-legacy
[-h] -m MODEL -r REFERENCE [-v VERBOSITY]
[-o OUTPUT] [-d] [-ds DUMP_SUFFIX]
[-rs REFERENCE_SELECTION] [-ms MODEL_SELECTION]
[-ca] [-ft] [-cl COMPOUND_LIBRARY] [-ml]
...
...
@@ -72,7 +72,7 @@ Details on the usage (output of ``ost compare-structures --help``):
eg.
ost compare-structures \
ost compare-structures
-legacy
\
--model <MODEL> \
--reference <REF> \
--output output.json \
...
...
@@ -108,9 +108,9 @@ Details on the usage (output of ``ost compare-structures --help``):
<FILEPATH>
To be as much compatible with with CAMEO as possible one should call
compare-structures as follows:
compare-structures
-legacy
as follows:
ost compare-structures \
ost compare-structures
-legacy
\
--model <MODEL> \
--reference <REF> \
--output output.json \
...
...
@@ -325,7 +325,7 @@ Example usage:
$ CAMEO_TARGET_URL=https://www.cameo3d.org/static/data/modeling/2019.07.13/6PO4_F
$ curl $CAMEO_TARGET_URL/bu_target_01.pdb > reference.pdb
$ curl $CAMEO_TARGET_URL/servers/server20/oligomodel-1/oligomodel-1.pdb > model.pdb
$ $OST_ROOT/bin/ost compare-structures \
$ $OST_ROOT/bin/ost compare-structures
-legacy
\
--model model.pdb --reference reference.pdb --output output.json \
--qs-score --residue-number-alignment --lddt --structural-checks \
--consistency-checks --inclusion-radius 15.0 --bond-tolerance 15.0 \
...
...
@@ -561,7 +561,7 @@ all the checking steps and calculate scores directly as here:
.. code:: console
$ $OST_ROOT/bin/ost compare-structures \
$ $OST_ROOT/bin/ost compare-structures
-legacy
\
--model model.pdb --reference reference.pdb --output output_qs.json \
--qs-score --residue-number-alignment
...
...
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