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schwede
openstructure
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5f58882c
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5f58882c
authored
10 years ago
by
Bienchen
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Fixing Sphinx syntax glitches
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modules/io/doc/mmcif.rst
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-2
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modules/io/doc/mmcif.rst
modules/mol/alg/pymod/superpose.py
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-6
14 additions, 6 deletions
modules/mol/alg/pymod/superpose.py
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modules/io/doc/mmcif.rst
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@@ -955,8 +955,7 @@ of the annotation available.
Retrieve database_pdb_rev.date_original.
:returns: database_pdb_rev.date_original as :class:`str` in format
'yyyy-mm-dd'
:returns: database_pdb_rev.date_original as :class:`str` in format 'yyyy-mm-dd'
.. method:: AddRevision(int num, String date, String status)
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modules/mol/alg/pymod/superpose.py
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@@ -298,24 +298,32 @@ def Superpose(ent_a, ent_b, match='number', atoms='all', iterative=False, max_it
:param ent_a: The model entity
:type ent_a: :class:`~ost.mol.EntityView` or :class:`~ost.mol.EntityHandle`
:param ent_b: The reference entity
:type ent_b: :class:`~ost.mol.EntityView` or :class:`~ost.mol.EntityHandle`
:param match: Method to gather residues/ atoms
:type match: :class:`str`
:param atoms: The subset of atoms to be used in the superposition
:type atoms: :class:`str`, :class:`list`, :class:`set`
:param max_iterations: They number of iterations that will be run during
iterative superposition
iterative superposition
:type max_iterations: :class:`int`
:param distance_threshold: The distance threshold between which two atoms that
will be used in the next superposition iteration
:param distance_threshold: The distance threshold between which two atoms
that will be used in the next superposition
iteration
:type distance_threshold: :class:`float`
:returns: An instance of :class:`SuperpositionResult`, containing members
* ``rmsd`` - RMSD of the superposed entities
* ``rmsd`` - RMSD of the superposed entities
* ``view1`` - First :class:`~ost.mol.EntityView` used
* ``view1`` - First :class:`~ost.mol.EntityView` used
* ``view2`` - Second :class:`~ost.mol.EntityView` used
* ``view2`` - Second :class:`~ost.mol.EntityView` used
"""
not_supported
=
"
Superpose called with unsupported matching request.
"
## create views to superpose
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