s_atm Struct Reference

#include <atom.h>


Data Fields

int sort_x
float x
float y
float z
char name [5]
char type [7]
char chain [2]
char symbol [3]
char res_name [8]
int id
int seen
int res_id
int atype
int charge
float mass
float radius
float electroneg
float occupancy
float bfactor
char pdb_insert
char pdb_aloc
int atomic_num


Detailed Description

A structure for the modelisation of an atom

Definition at line 52 of file atom.h.


Field Documentation

float s_atm::x

float s_atm::y

float s_atm::z

char s_atm::name[5]

char s_atm::type[7]

char s_atm::chain[2]

char s_atm::symbol[3]

char s_atm::res_name[8]

int s_atm::id

Say if we have seen this atom during a neighbor search

Definition at line 63 of file atom.h.

Referenced by get_mol_ctd_atm_neigh().

Definition at line 63 of file atom.h.

float s_atm::mass

Mass

Definition at line 70 of file atom.h.

Referenced by get_mol_mass(), get_mol_mass_ptr(), print_atoms(), and rpdb_read().

Electronegativity

Definition at line 70 of file atom.h.

Referenced by fill_vvertices(), rpdb_read(), set_ASA(), and set_atom_based_descriptors().

Atomic number

Definition at line 79 of file atom.h.


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

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