Module structure

Classes

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PyStructureReaderException

Functions

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_swig_getattr(self, class_type, name)

_swig_repr(self)

_swig_setattr(self, class_type, name, value)

_swig_setattr_nondynamic(self, class_type, name, value, static=1)

_swig_setattr_nondynamic_method(set)

Variables

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AROMATIC_H_DONOR = 3
hash(x)

AROMATIC_H_TO_O_ACCEPTOR = 6

AROMATIC_H_TO_SP2_N_ACCEPTOR = 7

BASE_ATOMS = 0
hash(x)

DEFAULT_PI_CATION_MAXIMUM_ANGLE = 30.0

DEFAULT_PI_CATION_MAXIMUM_DISTANCE = 6.59999990463

DISTANCE_CELL_PROPERTIES = ['r_chorus_box_ax', 'r_chorus_box_a...

FLUORINE_ACCEPTOR = 2

FLUORINE_DONOR = 1

FORMAT_MAESTRO = 0
hash(x)

FORMAT_MOL2 = 4

FORMAT_PDB = 1

FORMAT_PDBX = 2

FORMAT_SD = 3
hash(x)

HALOGEN_ACCEPTOR = 4

HALOGEN_DONOR = 5

INVALID_HANDLE = -1

ITERATE_ALL = 0
hash(x)

ITERATE_SELECTED = 1

LENGTHS_AND_ANGLES_PROPERTIES = ['r_pdb_PDB_CRYST1_a', 'r_pdb_...

M2IO_PDBX_SEQRES = 'm_pdb_seqres'

MMPDB_ALTLOC = 'g'

MMPDB_COMMON_RESOLUTION_INVALID = -1.0

MMPDB_UNDEFINED_VALUE = ' '

PDB_COMMON_NAMELEN = 4

PIPI_EDGE_TO_FACE_MAXIMUM_DISTANCE = 5.5

PIPI_EDGE_TO_FACE_MINIMUM_ANGLE = 60.0

PIPI_FACE_TO_FACE_MAXIMUM_ANGLE = 30.0

PIPI_FACE_TO_FACE_MAXIMUM_DISTANCE = 4.40000009537

SHARED_PTR_DISOWN = 0
hash(x)

STRUCTURE_READER_EOF = -2

__package__ = 'schrodinger.infra'

cvar = <Swig global variables>

Variables Details

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DISTANCE_CELL_PROPERTIES

Value:

['r_chorus_box_ax',
 'r_chorus_box_ay',
 'r_chorus_box_az',
 'r_chorus_box_bx',
 'r_chorus_box_by',
 'r_chorus_box_bz',
 'r_chorus_box_cx',
 'r_chorus_box_cy',
...

LENGTHS_AND_ANGLES_PROPERTIES

Value:

['r_pdb_PDB_CRYST1_a',
 'r_pdb_PDB_CRYST1_b',
 'r_pdb_PDB_CRYST1_c',
 'r_pdb_PDB_CRYST1_alpha',
 'r_pdb_PDB_CRYST1_beta',
 'r_pdb_PDB_CRYST1_gamma']