#include <molfile_plugin.h>
Public Attributes | |
char | name [16] |
char | type [16] |
char | resname [8] |
int | resid |
char | segid [8] |
char | chain [2] |
char | altloc [2] |
char | insertion [2] |
float | occupancy |
float | bfactor |
float | mass |
float | charge |
float | radius |
int | atomicnumber |
Definition at line 77 of file molfile_plugin.h.
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optional PDB alternate location code Definition at line 87 of file molfile_plugin.h. Referenced by read_pdb_structure, write_structure, and write_timestep. |
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optional element atomic number Definition at line 94 of file molfile_plugin.h. Referenced by read_bgf_structure, read_cube_structure, read_pdb_structure, read_xsf_structure, read_xyz_structure, write_bgf_timestep, write_structure, and write_timestep. |
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optional B-factor value Definition at line 90 of file molfile_plugin.h. Referenced by read_bgf_structure, read_pdb_structure, write_bgf_timestep, write_structure, and write_timestep. |
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optional charge value Definition at line 92 of file molfile_plugin.h. Referenced by parse_parm7_charge, read_bgf_structure, read_car_structure_line, read_gamess_structure, read_mdf_structure_line, read_mol2, read_parm_structure, read_pqr_structure, read_psf, write_bgf_timestep, write_mol2_timestep, write_pqr_atom, write_pqr_structure, and write_psf_structure. |
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optional PDB insertion code Definition at line 88 of file molfile_plugin.h. Referenced by read_bgf_structure, read_pdb_structure, write_structure, and write_timestep. |
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optional mass value Definition at line 91 of file molfile_plugin.h. Referenced by parse_parm7_mass, read_cube_structure, read_parm_structure, read_pdb_structure, read_psf, read_xsf_structure, read_xyz_structure, and write_psf_structure. |
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optional occupancy value Definition at line 89 of file molfile_plugin.h. Referenced by read_bgf_structure, read_mdf_structure_line, read_pdb_structure, write_bgf_timestep, write_structure, and write_timestep. |
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optional radius value Definition at line 93 of file molfile_plugin.h. Referenced by read_cube_structure, read_pdb_structure, read_pqr_structure, read_xsf_structure, read_xyz_structure, write_pqr_atom, and write_pqr_structure. |
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required segment name string, or "" Definition at line 83 of file molfile_plugin.h. Referenced by read_bgf_structure, read_car_structure_line, read_cor_structure, read_cpmd_structure, read_cube_structure, read_dlpoly_structure, read_g96_structure, read_gamess_structure, read_gro_structure, read_lammps_structure, read_mdf_structure_line, read_mmtk_cdf_structure, read_mol2, read_molden_structure, read_parm7_structure, read_parm_structure, read_pdb_structure, read_pqr_structure, read_psf, read_tinker_structure, read_xsf_structure, read_xyz_structure, write_bgf_timestep, write_psf_structure, and write_timestep. |
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