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MaestroProperties.h
Go to the documentation of this file.
//
// Copyright (C) 2024 Schrödinger, LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <string>
namespace RDKit {
namespace FileParsers {
namespace schrodinger {
static const std::string MAE_ATOM_TYPE = "i_m_mmod_type";
static const std::string MAE_BOND_DATIVE_MARK = "b_sPrivate_dative_bond";
static const std::string MAE_BOND_PARITY = "i_sd_original_parity";
static const std::string MAE_ENHANCED_STEREO_STATUS =
"i_m_ct_enhanced_stereo_status";
static const std::string MAE_RGROUP_LABEL = "i_sd__MolFileRLabel";
static const std::string MAE_STEREO_STATUS = "i_m_ct_stereo_status";
static const std::string PDB_ATOM_NAME = "s_m_pdb_atom_name";
static const std::string PDB_CHAIN_NAME = "s_m_chain_name";
static const std::string PDB_INSERTION_CODE = "s_m_insertion_code";
static const std::string PDB_OCCUPANCY = "r_m_pdb_occupancy";
static const std::string PDB_RESIDUE_NAME = "s_m_pdb_residue_name";
static const std::string PDB_RESIDUE_NUMBER = "i_m_residue_number";
static const std::string PDB_TFACTOR = "r_m_pdb_tfactor";
} // namespace schrodinger
} // namespace FileParsers
} // namespace RDKit
RDKit::FileParsers::schrodinger::MAE_BOND_DATIVE_MARK
static const std::string MAE_BOND_DATIVE_MARK
Definition MaestroProperties.h:17
RDKit::FileParsers::schrodinger::PDB_CHAIN_NAME
static const std::string PDB_CHAIN_NAME
Definition MaestroProperties.h:24
RDKit::FileParsers::schrodinger::MAE_RGROUP_LABEL
static const std::string MAE_RGROUP_LABEL
Definition MaestroProperties.h:21
RDKit::FileParsers::schrodinger::MAE_BOND_PARITY
static const std::string MAE_BOND_PARITY
Definition MaestroProperties.h:18
RDKit::FileParsers::schrodinger::PDB_ATOM_NAME
static const std::string PDB_ATOM_NAME
Definition MaestroProperties.h:23
RDKit::FileParsers::schrodinger::MAE_STEREO_STATUS
static const std::string MAE_STEREO_STATUS
Definition MaestroProperties.h:22
RDKit::FileParsers::schrodinger::PDB_OCCUPANCY
static const std::string PDB_OCCUPANCY
Definition MaestroProperties.h:26
RDKit::FileParsers::schrodinger::PDB_RESIDUE_NUMBER
static const std::string PDB_RESIDUE_NUMBER
Definition MaestroProperties.h:28
RDKit::FileParsers::schrodinger::PDB_RESIDUE_NAME
static const std::string PDB_RESIDUE_NAME
Definition MaestroProperties.h:27
RDKit::FileParsers::schrodinger::MAE_ENHANCED_STEREO_STATUS
static const std::string MAE_ENHANCED_STEREO_STATUS
Definition MaestroProperties.h:19
RDKit::FileParsers::schrodinger::PDB_INSERTION_CODE
static const std::string PDB_INSERTION_CODE
Definition MaestroProperties.h:25
RDKit::FileParsers::schrodinger::MAE_ATOM_TYPE
static const std::string MAE_ATOM_TYPE
Definition MaestroProperties.h:16
RDKit::FileParsers::schrodinger::PDB_TFACTOR
static const std::string PDB_TFACTOR
Definition MaestroProperties.h:29
RDKit
Std stuff.
Definition Abbreviations.h:19