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Static Public Member Functions | List of all members
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]pspose 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().


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