model_restraint_struct Struct Reference

#include <redchi.h>

Detailed Description

hash data in model_struct - list of restraints applied for refinement


Data Fields
GRelation *	restraints
GRelation *	atoms
GPtrArray *	hydrogens
	hydrogen information (for idealization - see hydrogen_struct)
gint	group
	group enumeration: polymer/peptide/pyranose/DNA/RNA
gboolean	is_selection
	is the hash a selection, or a list of residue_table_ids?
GPtrArray *	selarray
	pointer of strings to selection
gfloat	weight
	weight for selarray
gchar *	cif_dict_id
	name of CIF dictionary this element uses
gpointer	cif_dict
	pointer to cif_dict_struct
gchar *	mmdb_id
	used to look up the PDB atoms again if modifying something
gpointer	prev
	pointer to prev link in the chain
gpointer	next
	pointer to next link in the chain

relation of restraint enumerations (types, from cif_lib.h) and restraint_struct data

relation of atom ids from the CIF dictionary and the atom index from the PDB file

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