All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
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 name [16]
 required atom name string More...
 
char type [16]
 required atom type string More...
 
char resname [8]
 required residue name string More...
 
int resid
 required integer residue ID More...
 
char segid [8]
 required segment name string, or "" More...
 
char chain [2]
 required chain name, or "" More...
 
char altloc [2]
 optional PDB alternate location code More...
 
char insertion [2]
 optional PDB insertion code More...
 
float occupancy
 optional occupancy value More...
 
float bfactor
 optional B-factor value More...
 
float mass
 optional mass value More...
 
float charge
 optional charge value More...
 
float radius
 optional radius value More...
 
int atomicnumber
 optional element atomic number More...
 

Detailed Description

Per-atom attributes and information.

Member Data Documentation

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


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