diff --git a/modules/mol/alg/doc/lddt_deprecated.rst b/modules/mol/alg/doc/lddt_deprecated.rst index 433591c2601762e4a6d7e11401313e4876173cc5..80e1b1355698486d48cdcfc8c1fe30a372ab767d 100644 --- a/modules/mol/alg/doc/lddt_deprecated.rst +++ b/modules/mol/alg/doc/lddt_deprecated.rst @@ -6,7 +6,8 @@ lDDT (deprecated) .. warning:: These functions in `ost.mol.alg` are deprecated. Consider using the newer - implementation in :class:`ost.mol.alg.lDDTScorer` instead. + implementation in + :class:`ost.mol.alg.lddt.lDDTScorer <ost.mol.alg.lddt.lDDTScorer>` instead. .. function:: LocalDistDiffTest(model, distance_list, tolerance_list, \ sequence_separation=0, \ diff --git a/modules/mol/alg/doc/stereochemistry.rst b/modules/mol/alg/doc/stereochemistry.rst index 78ebf8b02f1e199fef32521ffedcad09e053ffc1..2b4f763ebfe8c306c1e8f1a279c05574c0cf9fe0 100644 --- a/modules/mol/alg/doc/stereochemistry.rst +++ b/modules/mol/alg/doc/stereochemistry.rst @@ -1,14 +1,6 @@ :mod:`~ost.mol.alg.stereochemistry` -- Stereochemistry Checks -------------------------------------------------------------------------------------- -.. warning:: - - Stereochemistry checks described in - `Mariani et al. <https://dx.doi.org/10.1093/bioinformatics/btt473>`_ are - considered deprecated. They have been re-implemented and now support - nucleotides. The old code is still available and documented - :doc:`here <stereochemistry_deprecated>`. - .. automodule:: ost.mol.alg.stereochemistry :members: :member-order: bysource diff --git a/modules/mol/alg/doc/stereochemistry_deprecated.rst b/modules/mol/alg/doc/stereochemistry_deprecated.rst index 3a4802a7a3f04f401c83f94db732f5db20cd33b1..b9e2422a8c048f8d833f7b54c88673b40524c962 100644 --- a/modules/mol/alg/doc/stereochemistry_deprecated.rst +++ b/modules/mol/alg/doc/stereochemistry_deprecated.rst @@ -3,6 +3,11 @@ Stereochemistry (deprecated) ================================================================================ +.. warning:: + + These functions in `ost.mol.alg` are deprecated. + Consider using the newer implementation in + :mod:`~ost.mol.alg.stereochemistry` instead. .. function:: CheckStructure(ent, \ bond_table, \ diff --git a/modules/mol/alg/pymod/stereochemistry.py b/modules/mol/alg/pymod/stereochemistry.py index b6aa98a58406036ede61eb3a072d5982fd0b50f7..1a2d7fb1a0eda0974d4dcb3bdafc44eb4b80b81c 100644 --- a/modules/mol/alg/pymod/stereochemistry.py +++ b/modules/mol/alg/pymod/stereochemistry.py @@ -1,3 +1,13 @@ +""" +.. note:: + + This is a new implementation of the stereochemistry checks, introduced in + OpenStructure 2.4, with support for nucleotides. The + :doc:`previous stereochemistry checks <stereochemistry_deprecated>` that come + with `Mariani et al. <https://dx.doi.org/10.1093/bioinformatics/btt473>`_ are + considered deprecated. +""" + import os import json import datetime