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mol2data Struct Reference

List of all members.

Public Attributes
FILE *	file
molfile_atom_t *	atomlist
int	natoms
int	nbonds
int	optflags
int	coords_read
int *	from
int *	to
float *	bondorder

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Member Data Documentation

molfile_atom_t* mol2data::atomlist

Definition at line 48 of file mol2plugin.C. Referenced by close_mol2_write, write_mol2_structure, and write_mol2_timestep.

float* mol2data::bondorder

Definition at line 51 of file mol2plugin.C. Referenced by close_mol2_read, close_mol2_write, open_mol2_read, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

int mol2data::coords_read

Definition at line 49 of file mol2plugin.C. Referenced by open_mol2_read, and read_mol2_timestep.

FILE* mol2data::file

Definition at line 47 of file mol2plugin.C. Referenced by close_mol2_read, close_mol2_write, open_mol2_read, open_mol2_write, read_mol2, read_mol2_bonds, read_mol2_bonds_aux, read_mol2_timestep, and write_mol2_timestep.

int* mol2data::from

Definition at line 50 of file mol2plugin.C. Referenced by close_mol2_read, close_mol2_write, open_mol2_read, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

int mol2data::natoms

Definition at line 49 of file mol2plugin.C. Referenced by open_mol2_read, open_mol2_write, read_mol2, read_mol2_timestep, write_mol2_structure, and write_mol2_timestep.

int mol2data::nbonds

Definition at line 49 of file mol2plugin.C. Referenced by open_mol2_read, open_mol2_write, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

int mol2data::optflags

Definition at line 49 of file mol2plugin.C. Referenced by open_mol2_read, and read_mol2.

int * mol2data::to

Definition at line 50 of file mol2plugin.C. Referenced by close_mol2_read, close_mol2_write, open_mol2_read, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

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The documentation for this struct was generated from the following file:

• mol2plugin.C

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