diff --git a/modules/conop/doc/aminoacid.rst b/modules/conop/doc/aminoacid.rst index de15eb98a91c3fe53a9008c20d314d4aa8954edc..a33104ca6b91085b63a3a0df02b100ebd1d9c2d7 100644 --- a/modules/conop/doc/aminoacid.rst +++ b/modules/conop/doc/aminoacid.rst @@ -79,63 +79,4 @@ Converter functions .. method:: Empty() - Whether the set is empty, i.e. doesn't contain any amino acids. - - -Mapping functions --------------------------------------------------------------------------------- - -The following functions help to convert one residue into another by reusing as -much as possible from the present atoms. They are mainly meant to map from -standard amino acid to other standard amino acids or from modified amino acids -to standard amino acids. - -.. function:: CopyResidue(src_res, dst_res, editor) - - Copies the atoms of ``src_res`` to ``dst_res`` using the residue names - as guide to decide which of the atoms should be copied. If ``src_res`` and - ``dst_res`` have the same name, or ``src_res`` is a modified version of - ``dst_res`` (i.e. have the same single letter code), CopyConserved will be - called, otherwise CopyNonConserved will be called. - - :param src_res: The source residue - :type src_res: :class:`~ost.mol.ResidueHandle` - :param dst_res: The destination residue - :type dst_res: :class:`~ost.mol.ResidueHandle` - - :returns: true if the residue could be copied, false if not. - -.. function:: CopyConserved(src_res, dst_res, editor) - - Copies the atoms of ``src_res`` to ``dst_res`` assuming that the parent - amino acid of ``src_res`` (or ``src_res`` itself) are identical to ``dst_res``. - - If ``src_res`` and ``dst_res`` are identical, all heavy atoms are copied - to ``dst_res``. If ``src_res`` is a modified version of ``dst_res`` and the - modification is a pure addition (e.g. the phosphate group of phosphoserine), - the modification is stripped off and all other heavy atoms are copied to - ``dst_res``. If the modification is not a pure addition, only the backbone - heavy atoms are copied to ``dst_res``. - - Additionally, the selenium atom of ``MSE`` is converted to sulphur. - - :param src_res: The source residue - :type src_res: :class:`~ost.mol.ResidueHandle` - :param dst_res: The destination residue - :type dst_res: :class:`~ost.mol.ResidueHandle` - - :returns: a tuple of bools stating whether the residue could be copied and - whether the Cbeta atom was inserted into the ``dst_res``. - -.. function:: CopyNonConserved(src_res, dst_res, editor) - - Copies the heavy backbone atoms and Cbeta (except for ``GLY``) of ``src_res`` - to ``dst_res``. - - :param src_res: The source residue - :type src_res: :class:`~ost.mol.ResidueHandle` - :param dst_res: The destination residue - :type dst_res: :class:`~ost.mol.ResidueHandle` - - :returns: a tuple of bools stating whether the residue could be copied and - whether the Cbeta atom was inserted into the ``dst_res``. + Whether the set is empty, i.e. doesn't contain any amino acids. \ No newline at end of file diff --git a/modules/mol/alg/doc/molalg.rst b/modules/mol/alg/doc/molalg.rst index 1641b6b495143c263417018e8d86224bfadca955..842c5a8d8334aa99c997ccb66658018bdcc63b4b 100644 --- a/modules/mol/alg/doc/molalg.rst +++ b/modules/mol/alg/doc/molalg.rst @@ -1187,3 +1187,65 @@ used to skip frames in the analysis. .. automodule:: ost.mol.alg.structure_analysis :members: + +.. _mapping-functions: + +Mapping functions +-------------------------------------------------------------------------------- + +The following functions help to convert one residue into another by reusing as +much as possible from the present atoms. They are mainly meant to map from +standard amino acid to other standard amino acids or from modified amino acids +to standard amino acids. + +.. function:: CopyResidue(src_res, dst_res, editor) + + Copies the atoms of ``src_res`` to ``dst_res`` using the residue names + as guide to decide which of the atoms should be copied. If ``src_res`` and + ``dst_res`` have the same name, or ``src_res`` is a modified version of + ``dst_res`` (i.e. have the same single letter code), CopyConserved will be + called, otherwise CopyNonConserved will be called. + + :param src_res: The source residue + :type src_res: :class:`~ost.mol.ResidueHandle` + :param dst_res: The destination residue + :type dst_res: :class:`~ost.mol.ResidueHandle` + + :returns: true if the residue could be copied, false if not. + +.. function:: CopyConserved(src_res, dst_res, editor) + + Copies the atoms of ``src_res`` to ``dst_res`` assuming that the parent + amino acid of ``src_res`` (or ``src_res`` itself) are identical to ``dst_res``. + + If ``src_res`` and ``dst_res`` are identical, all heavy atoms are copied + to ``dst_res``. If ``src_res`` is a modified version of ``dst_res`` and the + modification is a pure addition (e.g. the phosphate group of phosphoserine), + the modification is stripped off and all other heavy atoms are copied to + ``dst_res``. If the modification is not a pure addition, only the backbone + heavy atoms are copied to ``dst_res``. + + Additionally, the selenium atom of ``MSE`` is converted to sulphur. + + :param src_res: The source residue + :type src_res: :class:`~ost.mol.ResidueHandle` + :param dst_res: The destination residue + :type dst_res: :class:`~ost.mol.ResidueHandle` + + :returns: a tuple of bools stating whether the residue could be copied and + whether the Cbeta atom was inserted into the ``dst_res``. + +.. function:: CopyNonConserved(src_res, dst_res, editor) + + Copies the heavy backbone atoms and Cbeta (except for ``GLY``) of ``src_res`` + to ``dst_res``. + + :param src_res: The source residue + :type src_res: :class:`~ost.mol.ResidueHandle` + :param dst_res: The destination residue + :type dst_res: :class:`~ost.mol.ResidueHandle` + + :returns: a tuple of bools stating whether the residue could be copied and + whether the Cbeta atom was inserted into the ``dst_res``. + +