Index

A

add_format_checkers() (in module read_structure_step.formats.openbabel_io.checkers)

C

check_for_pdb() (in module read_structure_step.formats.openbabel_io.checkers) check_for_xyz() (in module read_structure_step.formats.openbabel_io.checkers) create_dialog() (read_structure_step.tk_read_structure.TkReadStructure method) (read_structure_step.tk_write_structure.TkWriteStructure method)

create_node() (read_structure_step.read_structure_step.ReadStructureStep method) (read_structure_step.write_structure_step.WriteStructureStep method) create_parser() (read_structure_step.read_structure.ReadStructure method) create_tk_node() (read_structure_step.read_structure_step.ReadStructureStep method) (read_structure_step.write_structure_step.WriteStructureStep method)

D

description() (read_structure_step.read_structure_step.ReadStructureStep method) (read_structure_step.write_structure_step.WriteStructureStep method)

description_text() (read_structure_step.read_structure.ReadStructure method) (read_structure_step.write_structure.WriteStructure method)

E

Error

escape_char (read_structure_step.formats.mop.obabel.OutputGrabber attribute) (read_structure_step.formats.xyz.xyz.OutputGrabber attribute)

F

find_mopac() (in module read_structure_step.formats.mop.find_mopac)

FORMAT_METADATA (in module read_structure_step.formats.registries)

G

get_format_metadata() (in module read_structure_step.formats.registries) git_revision (read_structure_step.read_structure.ReadStructure property) (read_structure_step.write_structure.WriteStructure property)

guess_extension() (in module read_structure_step.utils)

L

last_resort_checker() (in module read_structure_step.formats.registries) last_resort_reader() (in module read_structure_step.formats.registries)

last_resort_writer() (in module read_structure_step.formats.registries) load_file() (in module read_structure_step.formats.openbabel_io.obabel)

M

module read_structure_step read_structure_step.errors read_structure_step.formats read_structure_step.formats.cif read_structure_step.formats.cif.cif read_structure_step.formats.cif.mmcif read_structure_step.formats.mol2 read_structure_step.formats.mol2.mol2 read_structure_step.formats.mop read_structure_step.formats.mop.find_mopac read_structure_step.formats.mop.obabel read_structure_step.formats.openbabel_io read_structure_step.formats.openbabel_io.checkers read_structure_step.formats.openbabel_io.obabel read_structure_step.formats.registries read_structure_step.formats.sdf read_structure_step.formats.sdf.sdf read_structure_step.formats.smi read_structure_step.formats.smi.smi read_structure_step.formats.which read_structure_step.formats.xyz read_structure_step.formats.xyz.xyz read_structure_step.read read_structure_step.read_structure read_structure_step.read_structure_parameters read_structure_step.read_structure_step read_structure_step.tk_read_structure read_structure_step.tk_write_structure read_structure_step.utils read_structure_step.write read_structure_step.write_structure read_structure_step.write_structure_parameters read_structure_step.write_structure_step

Mol2Error MopError my_description (read_structure_step.read_structure_step.ReadStructureStep attribute) (read_structure_step.write_structure_step.WriteStructureStep attribute)

O

OutputGrabber (class in read_structure_step.formats.mop.obabel) (class in read_structure_step.formats.xyz.xyz)

P

parameters (read_structure_step.read_structure_parameters.ReadStructureParameters attribute) (read_structure_step.write_structure_parameters.WriteStructureParameters attribute)

parse_indices() (in module read_structure_step.utils) PDBError

R

read() (in module read_structure_step.read) read_structure_step module read_structure_step.errors module read_structure_step.formats module read_structure_step.formats.cif module read_structure_step.formats.cif.cif module read_structure_step.formats.cif.mmcif module read_structure_step.formats.mol2 module read_structure_step.formats.mol2.mol2 module read_structure_step.formats.mop module read_structure_step.formats.mop.find_mopac module read_structure_step.formats.mop.obabel module read_structure_step.formats.openbabel_io module read_structure_step.formats.openbabel_io.checkers module read_structure_step.formats.openbabel_io.obabel module read_structure_step.formats.registries module read_structure_step.formats.sdf module read_structure_step.formats.sdf.sdf module read_structure_step.formats.smi module read_structure_step.formats.smi.smi module read_structure_step.formats.which module read_structure_step.formats.xyz module

read_structure_step.formats.xyz.xyz module read_structure_step.read module read_structure_step.read_structure module read_structure_step.read_structure_parameters module read_structure_step.read_structure_step module read_structure_step.tk_read_structure module read_structure_step.tk_write_structure module read_structure_step.utils module read_structure_step.write module read_structure_step.write_structure module read_structure_step.write_structure_parameters module read_structure_step.write_structure_step module read_tarfile() (read_structure_step.read_structure.ReadStructure method) readOutput() (read_structure_step.formats.mop.obabel.OutputGrabber method) (read_structure_step.formats.xyz.xyz.OutputGrabber method) ReadStructure (class in read_structure_step.read_structure) ReadStructureParameters (class in read_structure_step.read_structure_parameters) ReadStructureStep (class in read_structure_step.read_structure_step) register_format_checker() (in module read_structure_step.formats.registries) register_reader() (in module read_structure_step.formats.registries) register_writer() (in module read_structure_step.formats.registries) REGISTERED_FORMAT_CHECKERS (in module read_structure_step.formats.registries) REGISTERED_READERS (in module read_structure_step.formats.registries) reset_dialog() (read_structure_step.tk_read_structure.TkReadStructure method) (read_structure_step.tk_write_structure.TkWriteStructure method) right_click() (read_structure_step.tk_read_structure.TkReadStructure method) (read_structure_step.tk_write_structure.TkWriteStructure method) run() (read_structure_step.read_structure.ReadStructure method) (read_structure_step.write_structure.WriteStructure method) run_mopac() (read_structure_step.read_structure.ReadStructure method)

S

sanitize_file_format() (in module read_structure_step.utils) SDFError set_format_metadata() (in module read_structure_step.formats.registries)

start() (read_structure_step.formats.mop.obabel.OutputGrabber method) (read_structure_step.formats.xyz.xyz.OutputGrabber method) stop() (read_structure_step.formats.mop.obabel.OutputGrabber method) (read_structure_step.formats.xyz.xyz.OutputGrabber method)

T

TkReadStructure (class in read_structure_step.tk_read_structure)

TkWriteStructure (class in read_structure_step.tk_write_structure)

V

version (read_structure_step.read_structure.ReadStructure property) (read_structure_step.write_structure.WriteStructure property)

W

which() (in module read_structure_step.formats.which) write() (in module read_structure_step.write) write_file() (in module read_structure_step.formats.openbabel_io.obabel)

WriteStructure (class in read_structure_step.write_structure) WriteStructureParameters (class in read_structure_step.write_structure_parameters) WriteStructureStep (class in read_structure_step.write_structure_step)

X

XYZError