Per-atom attributes and information. More...
#include <molfile_plugin.h>
Public Attributes | |
char | altloc [2] |
optional PDB alternate location code More... | |
int | atomicnumber |
optional element atomic number More... | |
float | bfactor |
optional B-factor value More... | |
char | chain [2] |
required chain name, or "" More... | |
float | charge |
optional charge value More... | |
char | insertion [2] |
optional PDB insertion code More... | |
float | mass |
optional mass value More... | |
char | name [16] |
required atom name string More... | |
float | occupancy |
optional occupancy value More... | |
float | radius |
optional radius value More... | |
int | resid |
required integer residue ID More... | |
char | resname [8] |
required residue name string More... | |
char | segid [8] |
required segment name string, or "" More... | |
char | type [16] |
required atom type string More... | |
Per-atom attributes and information.
char PLMD::molfile::molfile_atom_t::altloc[2] |
optional PDB alternate location code
int PLMD::molfile::molfile_atom_t::atomicnumber |
optional element atomic number
float PLMD::molfile::molfile_atom_t::bfactor |
optional B-factor value
char PLMD::molfile::molfile_atom_t::chain[2] |
required chain name, or ""
float PLMD::molfile::molfile_atom_t::charge |
optional charge value
char PLMD::molfile::molfile_atom_t::insertion[2] |
optional PDB insertion code
float PLMD::molfile::molfile_atom_t::mass |
optional mass value
char PLMD::molfile::molfile_atom_t::name[16] |
required atom name string
float PLMD::molfile::molfile_atom_t::occupancy |
optional occupancy value
float PLMD::molfile::molfile_atom_t::radius |
optional radius value
int PLMD::molfile::molfile_atom_t::resid |
required integer residue ID
char PLMD::molfile::molfile_atom_t::resname[8] |
required residue name string
char PLMD::molfile::molfile_atom_t::segid[8] |
required segment name string, or ""
char PLMD::molfile::molfile_atom_t::type[16] |
required atom type string
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