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Verified Commit 750146f1 authored by Xavier Robin's avatar Xavier Robin
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doc: IO profiles in SDF reader

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...@@ -30,6 +30,8 @@ Changes in Release 2.9.0 ...@@ -30,6 +30,8 @@ Changes in Release 2.9.0
even though there is no experimental evidence. The approach with trimmed even though there is no experimental evidence. The approach with trimmed
models removes any model residue that cannot be mapped to the target models removes any model residue that cannot be mapped to the target
structure before scoring. structure before scoring.
* The SDF reader is now aware of IOProfiles and can read files with invalid
bond types (order) from RDKit in fault tolerant mode.
* Several bug fixes and improvements. * Several bug fixes and improvements.
Changes in Release 2.8.0 Changes in Release 2.8.0
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...@@ -119,22 +119,18 @@ behaviour. ...@@ -119,22 +119,18 @@ behaviour.
:rtype: :class:`~ost.mol.EntityHandle`. :rtype: :class:`~ost.mol.EntityHandle`.
.. autofunction:: ost.io.LoadSDF
.. function:: LoadSDF(filename) .. function:: SDFStrToEntity(sdf_string, profile=IOProfile())
Load an SDF file and return an entity.
:param filename: File to be loaded
:type filename: :class:`str`
:rtype: :class:`~ost.mol.EntityHandle`
.. function:: SDFStrToEntity(sdf_string)
Load entity from a string in SDF format. Load entity from a string in SDF format.
:param pdb_string: A SDF file as a string. :param pdb_string: A SDF file as a string.
:param profile: The IO Profile to read the entity with. For more information
on the IO Profiles available, see :doc:`profile`.
:type profile: :class:`ost.io.IOProfile`
:rtype: :class:`~ost.mol.EntityHandle`. :rtype: :class:`~ost.mol.EntityHandle`.
.. class:: ost.io.OMF .. class:: ost.io.OMF
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