Public Attributes | List of all members
PLMD::molfile::molfile_atom_t Struct Reference

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...
 

Detailed Description

Per-atom attributes and information.

Member Data Documentation

◆ altloc

char PLMD::molfile::molfile_atom_t::altloc[2]

optional PDB alternate location code

◆ atomicnumber

int PLMD::molfile::molfile_atom_t::atomicnumber

optional element atomic number

◆ bfactor

float PLMD::molfile::molfile_atom_t::bfactor

optional B-factor value

◆ chain

char PLMD::molfile::molfile_atom_t::chain[2]

required chain name, or ""

◆ charge

float PLMD::molfile::molfile_atom_t::charge

optional charge value

◆ insertion

char PLMD::molfile::molfile_atom_t::insertion[2]

optional PDB insertion code

◆ mass

float PLMD::molfile::molfile_atom_t::mass

optional mass value

◆ name

char PLMD::molfile::molfile_atom_t::name[16]

required atom name string

◆ occupancy

float PLMD::molfile::molfile_atom_t::occupancy

optional occupancy value

◆ radius

float PLMD::molfile::molfile_atom_t::radius

optional radius value

◆ resid

int PLMD::molfile::molfile_atom_t::resid

required integer residue ID

◆ resname

char PLMD::molfile::molfile_atom_t::resname[8]

required residue name string

◆ segid

char PLMD::molfile::molfile_atom_t::segid[8]

required segment name string, or ""

◆ type

char PLMD::molfile::molfile_atom_t::type[16]

required atom type string


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