List of all items
Structs
- molfile_bindings::molfile_atom_t
- molfile_bindings::molfile_graphics_t
- molfile_bindings::molfile_metadata_t
- molfile_bindings::molfile_plugin_t
- molfile_bindings::molfile_qm_basis_t
- molfile_bindings::molfile_qm_hessian_t
- molfile_bindings::molfile_qm_metadata_t
- molfile_bindings::molfile_qm_sysinfo_t
- molfile_bindings::molfile_qm_t
- molfile_bindings::molfile_qm_timestep_metadata
- molfile_bindings::molfile_qm_timestep_t
- molfile_bindings::molfile_qm_wavefunction_t
- molfile_bindings::molfile_timestep_metadata
- molfile_bindings::molfile_timestep_t
- molfile_bindings::molfile_volumetric_readwrite_t
- molfile_bindings::molfile_volumetric_t
- molfile_bindings::vmdplugin_t
Functions
- molfile_bindings::VMDPLUGIN_fini
- molfile_bindings::VMDPLUGIN_init
- molfile_bindings::VMDPLUGIN_register
- molfile_bindings::VMDPLUGIN_register_tcl
- molfile_bindings::dcd_get_plugin_ptr
- molfile_bindings::pdb_get_plugin_ptr
- molfile_bindings::xyz_get_plugin_ptr
Type Aliases
- molfile_bindings::molfile_graphics_type
- molfile_bindings::molfile_qm_charge_type
- molfile_bindings::molfile_qm_timestep_metadata_t
- molfile_bindings::molfile_qm_wavefunc_type
- molfile_bindings::molfile_timestep_metadata_t
- molfile_bindings::vmdplugin_register_cb
Constants
- molfile_bindings::MOLFILE_ALTLOC
- molfile_bindings::MOLFILE_ATOMICNUMBER
- molfile_bindings::MOLFILE_BADOPTIONS
- molfile_bindings::MOLFILE_BFACTOR
- molfile_bindings::MOLFILE_BIGBUFSIZ
- molfile_bindings::MOLFILE_BONDSSPECIAL
- molfile_bindings::MOLFILE_BUFSIZ
- molfile_bindings::MOLFILE_CHARGE
- molfile_bindings::MOLFILE_CONVERTER_PLUGIN_TYPE
- molfile_bindings::MOLFILE_DIRECTIO_MAX_BLOCK_SIZE
- molfile_bindings::MOLFILE_DIRECTIO_MIN_BLOCK_SIZE
- molfile_bindings::MOLFILE_EOF
- molfile_bindings::MOLFILE_ERROR
- molfile_bindings::MOLFILE_INSERTION
- molfile_bindings::MOLFILE_MASS
- molfile_bindings::MOLFILE_MAXWAVEPERTS
- molfile_bindings::MOLFILE_NOOPTIONS
- molfile_bindings::MOLFILE_NOSTRUCTUREDATA
- molfile_bindings::MOLFILE_NUMATOMS_NONE
- molfile_bindings::MOLFILE_NUMATOMS_UNKNOWN
- molfile_bindings::MOLFILE_OCCUPANCY
- molfile_bindings::MOLFILE_PLUGIN_TYPE
- molfile_bindings::MOLFILE_QMSTATUS_FILE_TRUNCATED
- molfile_bindings::MOLFILE_QMSTATUS_OPT_CONV
- molfile_bindings::MOLFILE_QMSTATUS_OPT_NOT_CONV
- molfile_bindings::MOLFILE_QMSTATUS_SCF_NOT_CONV
- molfile_bindings::MOLFILE_QMSTATUS_UNKNOWN
- molfile_bindings::MOLFILE_QMTS_GRADIENT
- molfile_bindings::MOLFILE_QMTS_NOOPTIONS
- molfile_bindings::MOLFILE_QMTS_SCFITER
- molfile_bindings::MOLFILE_RADIUS
- molfile_bindings::MOLFILE_RUNTYPE_DYNAMICS
- molfile_bindings::MOLFILE_RUNTYPE_ENERGY
- molfile_bindings::MOLFILE_RUNTYPE_GRADIENT
- molfile_bindings::MOLFILE_RUNTYPE_HESSIAN
- molfile_bindings::MOLFILE_RUNTYPE_MEX
- molfile_bindings::MOLFILE_RUNTYPE_OPTIMIZE
- molfile_bindings::MOLFILE_RUNTYPE_PROPERTIES
- molfile_bindings::MOLFILE_RUNTYPE_SADPOINT
- molfile_bindings::MOLFILE_RUNTYPE_SURFACE
- molfile_bindings::MOLFILE_RUNTYPE_UNKNOWN
- molfile_bindings::MOLFILE_SCFTYPE_FF
- molfile_bindings::MOLFILE_SCFTYPE_GVB
- molfile_bindings::MOLFILE_SCFTYPE_MCSCF
- molfile_bindings::MOLFILE_SCFTYPE_NONE
- molfile_bindings::MOLFILE_SCFTYPE_RHF
- molfile_bindings::MOLFILE_SCFTYPE_ROHF
- molfile_bindings::MOLFILE_SCFTYPE_UHF
- molfile_bindings::MOLFILE_SCFTYPE_UNKNOWN
- molfile_bindings::MOLFILE_SUCCESS
- molfile_bindings::VMDPLUGIN_ERROR
- molfile_bindings::VMDPLUGIN_SUCCESS
- molfile_bindings::VMDPLUGIN_THREADSAFE
- molfile_bindings::VMDPLUGIN_THREADUNSAFE
- molfile_bindings::molfile_graphics_type_MOLFILE_CAPCYL
- molfile_bindings::molfile_graphics_type_MOLFILE_COLOR
- molfile_bindings::molfile_graphics_type_MOLFILE_CONE
- molfile_bindings::molfile_graphics_type_MOLFILE_CYLINDER
- molfile_bindings::molfile_graphics_type_MOLFILE_LINE
- molfile_bindings::molfile_graphics_type_MOLFILE_NORMS
- molfile_bindings::molfile_graphics_type_MOLFILE_POINT
- molfile_bindings::molfile_graphics_type_MOLFILE_SPHERE
- molfile_bindings::molfile_graphics_type_MOLFILE_TEXT
- molfile_bindings::molfile_graphics_type_MOLFILE_TRIANGLE
- molfile_bindings::molfile_graphics_type_MOLFILE_TRICOLOR
- molfile_bindings::molfile_graphics_type_MOLFILE_TRINORM
- molfile_bindings::molfile_qm_charge_type_MOLFILE_QMCHARGE_ESP
- molfile_bindings::molfile_qm_charge_type_MOLFILE_QMCHARGE_LOWDIN
- molfile_bindings::molfile_qm_charge_type_MOLFILE_QMCHARGE_MULLIKEN
- molfile_bindings::molfile_qm_charge_type_MOLFILE_QMCHARGE_NPA
- molfile_bindings::molfile_qm_charge_type_MOLFILE_QMCHARGE_UNKNOWN
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_BOYS
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_CANON
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_CINATUR
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_GEMINAL
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_MCSCFNAT
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_MCSCFOPT
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_MOAO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_NAO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_NATO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_NBO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_NHO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_NLMO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_PIPEK
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_PNAO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_PNBO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_PNHO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_PNLMO
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_RUEDEN
- molfile_bindings::molfile_qm_wavefunc_type_MOLFILE_WAVE_UNKNOWN
- molfile_bindings::vmdplugin_ABIVERSION