#include "AminoAcidGraphRepresentations.h"
#include <Molassembler/Graph.h>
#include <Molassembler/Molecule.h>
#include <Molassembler/Serialization.h>

Include dependency graph for AminoAcidGraphRepresentations.cpp:

Functions
std::map< std::string, Molassembler::Graph >	Scine::StructurePreparation::AminoAcids::getAminoAcidGraphs ()
	Gets a map of amino acid names and corresponding molassembler graphs. More...

std::vector< std::string >	Scine::StructurePreparation::AminoAcids::getResidueTypes (const std::string &residueName)
	Returns a vector of atom types for a specific amino acid.

Variables
const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::ALATypes = {"N", "CA", "C", "O", "CB"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::ARGTypes = {"N", "CA", "C", "O", "CB", "CG", "CD", "NE", "CZ", "NH1", "NH2"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::ASNTypes = {"N", "CA", "C", "O", "CB", "CG", "OD1", "ND2"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::ASPTypes = {"N", "CA", "C", "CB", "CG", "OD1", "OD2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::CYSTypes = {"N", "CA", "C", "O", "CB", "SG"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::GLNTypes = {"N", "CA", "C", "CB", "CG", "CD", "OE1", "NE2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::GLUTypes = {"N", "CA", "C", "CB", "CG", "CD", "OE1", "OE2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::GLYTypes = {"N", "CA", "C", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::HISTypes = {"N", "CA", "C", "CB", "CG", "ND1", "CD2", "CE1", "NE2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::ILETypes = {"N", "CA", "C", "CB", "CG1", "CG2", "CD1", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::LEUTypes = {"N", "CA", "C", "CB", "CG", "CD1", "CD2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::LYSTypes = {"N", "CA", "C", "CB", "CG", "CD", "CE", "NZ", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::METTypes = {"N", "CA", "C", "CB", "CG", "SD", "CE", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::PHETypes = {"N", "CA", "C", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::PROTypes = {"N", "CA", "C", "CB", "CG", "CD", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::SERTypes = {"N", "CA", "C", "CB", "OG", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::THRTypes = {"N", "CA", "C", "CB", "OG1", "CG2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::TRPTypes

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::TYRTypes = {"N", "CA", "C", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "OH", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::VALTypes = {"N", "CA", "C", "CB", "CG1", "CG2", "O"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::DCYTypes = {"N", "CA", "C", "O", "CB", "SG", "N", "CA", "C", "O", "CB", "SG"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::MSETypes = {"N", "CA", "C", "O", "CB", "CG", "SE", "CE"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::SECTypes = {"N", "CA", "C", "O", "CB", "SE"}

const std::vector< std::string >	Scine::StructurePreparation::AminoAcids::PYLTypes

Detailed Description

Copyright: This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.

Functions

Variables

Detailed Description