RDKit
Open-source cheminformatics and machine learning.
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Namespaces | Variables
MaestroProperties.h File Reference
#include <string>

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Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::FileParsers
 
namespace  RDKit::FileParsers::schrodinger
 

Variables

static const std::string RDKit::FileParsers::schrodinger::MAE_ATOM_TYPE = "i_m_mmod_type"
 
static const std::string RDKit::FileParsers::schrodinger::MAE_BOND_DATIVE_MARK = "b_sPrivate_dative_bond"
 
static const std::string RDKit::FileParsers::schrodinger::MAE_BOND_PARITY = "i_sd_original_parity"
 
static const std::string RDKit::FileParsers::schrodinger::MAE_ENHANCED_STEREO_STATUS
 
static const std::string RDKit::FileParsers::schrodinger::MAE_RGROUP_LABEL = "i_sd__MolFileRLabel"
 
static const std::string RDKit::FileParsers::schrodinger::MAE_STEREO_STATUS = "i_m_ct_stereo_status"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_ATOM_NAME = "s_m_pdb_atom_name"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_CHAIN_NAME = "s_m_chain_name"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_INSERTION_CODE = "s_m_insertion_code"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_OCCUPANCY = "r_m_pdb_occupancy"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_RESIDUE_NAME = "s_m_pdb_residue_name"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_RESIDUE_NUMBER = "i_m_residue_number"
 
static const std::string RDKit::FileParsers::schrodinger::PDB_TFACTOR = "r_m_pdb_tfactor"