protocols::ligand_docking::ga_ligand_dock::TorsionType Struct Reference

Gene representation of ligand & flexible sidechains in receptor. More...

#include <LigandConformer.hh>

Public Attributes
core::chemical::BondName	bn
core::chemical::BondRingness	br
core::Size	at1
core::Size	at2
core::Size	at3
core::Size	at4

Detailed Description

Gene representation of ligand & flexible sidechains in receptor.

Gene is preresented by rigid body (rb_), ligandchis, and receptorchis Also has functions to tranform back and forth to pose object Uses friend functions to perform mutation / crossovers with others within gene representation

Member Data Documentation

at1

core::Size protocols::ligand_docking::ga_ligand_dock::TorsionType::at1

Referenced by protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_conf(), protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligand_conf(), and protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligchi_types().

at2

core::Size protocols::ligand_docking::ga_ligand_dock::TorsionType::at2

Referenced by protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_conf(), protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligand_conf(), and protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligchi_types().

at3

core::Size protocols::ligand_docking::ga_ligand_dock::TorsionType::at3

Referenced by protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_conf(), protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligand_conf(), and protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligchi_types().

at4

core::Size protocols::ligand_docking::ga_ligand_dock::TorsionType::at4

Referenced by protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_conf(), protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligand_conf(), and protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligchi_types().

bn

core::chemical::BondName protocols::ligand_docking::ga_ligand_dock::TorsionType::bn

Referenced by protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_conf(), protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligand_conf(), and protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligchi_types().

br

core::chemical::BondRingness protocols::ligand_docking::ga_ligand_dock::TorsionType::br

Referenced by protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_conf(), protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligand_conf(), and protocols::ligand_docking::ga_ligand_dock::LigandConformer::update_ligchi_types().

---

The documentation for this struct was generated from the following file:

• src/protocols/ligand_docking/GALigandDock/LigandConformer.hh