RDKit: MaestroProperties.h Source File

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MaestroProperties.h
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1//
2// Copyright (C) 2024 Schrödinger, LLC
3//
4// @@ All Rights Reserved @@
5// This file is part of the RDKit.
6// The contents are covered by the terms of the BSD license
7// which is included in the file license.txt, found at the root
8// of the RDKit source tree.
9//
10#include <string>
11
12namespace RDKit {
13 namespace FileParsers {
14 namespace schrodinger {
15
16 static const std::string MAE_ATOM_TYPE = "i_m_mmod_type";
17 static const std::string MAE_BOND_DATIVE_MARK = "b_sPrivate_dative_bond";
18 static const std::string MAE_BOND_PARITY = "i_sd_original_parity";
19 static const std::string MAE_ENHANCED_STEREO_STATUS =
20 "i_m_ct_enhanced_stereo_status";
21 static const std::string MAE_RGROUP_LABEL = "i_sd__MolFileRLabel";
22 static const std::string MAE_STEREO_STATUS = "i_m_ct_stereo_status";
23 static const std::string PDB_ATOM_NAME = "s_m_pdb_atom_name";
24 static const std::string PDB_CHAIN_NAME = "s_m_chain_name";
25 static const std::string PDB_INSERTION_CODE = "s_m_insertion_code";
26 static const std::string PDB_OCCUPANCY = "r_m_pdb_occupancy";
27 static const std::string PDB_RESIDUE_NAME = "s_m_pdb_residue_name";
28 static const std::string PDB_RESIDUE_NUMBER = "i_m_residue_number";
29 static const std::string PDB_TFACTOR = "r_m_pdb_tfactor";
30
31} // namespace schrodinger
32} // namespace FileParsers
33} // namespace RDKit
PDB_ATOM_NAME
static const std::string PDB_ATOM_NAME
Definition MaestroProperties.h:23
PDB_RESIDUE_NAME
static const std::string PDB_RESIDUE_NAME
Definition MaestroProperties.h:27
PDB_RESIDUE_NUMBER
static const std::string PDB_RESIDUE_NUMBER
Definition MaestroProperties.h:28
PDB_OCCUPANCY
static const std::string PDB_OCCUPANCY
Definition MaestroProperties.h:26
MAE_BOND_PARITY
static const std::string MAE_BOND_PARITY
Definition MaestroProperties.h:18
PDB_CHAIN_NAME
static const std::string PDB_CHAIN_NAME
Definition MaestroProperties.h:24
MAE_ENHANCED_STEREO_STATUS
static const std::string MAE_ENHANCED_STEREO_STATUS
Definition MaestroProperties.h:19
MAE_RGROUP_LABEL
static const std::string MAE_RGROUP_LABEL
Definition MaestroProperties.h:21
MAE_BOND_DATIVE_MARK
static const std::string MAE_BOND_DATIVE_MARK
Definition MaestroProperties.h:17
MAE_STEREO_STATUS
static const std::string MAE_STEREO_STATUS
Definition MaestroProperties.h:22
PDB_TFACTOR
static const std::string PDB_TFACTOR
Definition MaestroProperties.h:29
PDB_INSERTION_CODE
static const std::string PDB_INSERTION_CODE
Definition MaestroProperties.h:25
MAE_ATOM_TYPE
static const std::string MAE_ATOM_TYPE
Definition MaestroProperties.h:16
RDKit::FileParsers::schrodinger
Definition MaestroProperties.h:14
RDKit::FileParsers
Definition MaestroProperties.h:13
RDKit
Std stuff.
Definition Abbreviations.h:19