protocols::constel::FilterByTryptamine Class Reference

Class to filter out constellations that cannot (putatively) be rescued by tryptamine. More...

#include <PairConstelFilters.hh>

Static Public Member Functions
static bool	is_satisfied (core::pose::Pose const &ps, utility::vector1< core::Size > const &cnl)
	Tells whether a constellation satisfies the requirements for being rescued by tryptamine. More...

Detailed Description

Class to filter out constellations that cannot (putatively) be rescued by tryptamine.

Member Function Documentation

bool protocols::constel::FilterByTryptamine::is_satisfied ( core::pose::Pose const &  ps, utility::vector1< core::Size > const &  cnl  )

static

Tells whether a constellation satisfies the requirements for being rescued by tryptamine.

Returns

true if the constellation satisfies such requirements; false otherwise.

Parameters

[in]	ps	pose to which all residues in the constellation belong.
	cnl]	indexes in the pose of the residues forming the constellation.

Remarks

It is assumed that:

1. The residues forming the constellation have non-zero occupancy only for the atoms that belong to the constellation. This is guaranteed if the residues forming the constellation had their indexes previously passed as arguments to function "SingResCnlCrea::zero_occ_for_deleted_atoms()".

1. For constellations formed by other than 2 residues, the function currently returns false.

References core::chemical::aa_lys, core::chemical::aa_trp, protocols::constel::PresenceCommon::are_aa_pres(), protocols::constel::PresenceCommon::are_atoms_pres(), protocols::constel::OrientCommon::is_closer_to_tgt(), protocols::constel::HBondCommon::is_rmoi_hbonded(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), and core::conformation::Residue::xyz().

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The documentation for this class was generated from the following files:

• src/protocols/constel/PairConstelFilters.hh
• src/protocols/constel/PairConstelFilters.cc