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Verified Commit 550ad549 authored by Xavier Robin's avatar Xavier Robin
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There is no more DRMSD in LDDT

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Local Distance Test scores (lDDT, DRMSD)
Local Distance Difference Test (LDDT)
================================================================================
.. note::
This is a new implementation of lDDT, introduced in OpenStructure 2.4 with
This is a new implementation of LDDT, introduced in OpenStructure 2.4 with
focus on supporting quaternary structure and compounds beyond the 20
standard proteinogenic amino acids.
The :doc:`previous lDDT code <lddt_deprecated>` that comes with
The :doc:`previous LDDT code <lddt_deprecated>` that comes with
`Mariani et al. <https://dx.doi.org/10.1093/bioinformatics/btt473>`_ is
considered deprecated.
.. note::
:class:`lddt.lDDTScorer` provides the raw Python API to compute lDDT but
:class:`lddt.lDDTScorer` provides the raw Python API to compute LDDT but
stereochemistry checks as described in
`Mariani et al. <https://dx.doi.org/10.1093/bioinformatics/btt473>`_
must be done seperately. You may want to check out the
``compare-structures`` action (:ref:`ost compare structures`) to
compute lDDT with pre-processing and support for quaternary structures.
compute LDDT with pre-processing and support for quaternary structures.
.. autoclass:: ost.mol.alg.lddt.lDDTScorer
......@@ -36,7 +36,7 @@ Local Distance Test scores (lDDT, DRMSD)
cutoffs=(0.5, 1.0, 2.0, 4.0), \
label="locallddt")
Object containing the settings used for lDDT calculations.
Object containing the settings used for LDDT calculations.
:param radius: Sets :attr:`radius`.
:param sequence_separation: Sets :attr:`sequence_separation`.
......
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