1 /* select.h 2 3 MolScript v2.1.2 4 5 Atom and residue selection definitions. 6 7 Copyright (C) 1997-1998 Per Kraulis 8 7-Dec-1996 first attempts 9 2-Jan-1997 largely finished 10 */ 11 12 #include "coord.h" 13 14 typedef struct selection selection; 15 16 struct selection { 17 int *flags; 18 selection *next, *prev; 19 }; 20 21 void push_atom_selection (void); 22 void push_residue_selection (void); 23 void pop_atom_selection (void); 24 void pop_residue_selection (void); 25 26 int count_atom_selections (void); 27 int count_residue_selections (void); 28 29 int select_atom_count (void); 30 int select_residue_count (void); 31 32 at3d **select_atom_list (int *atom_count); 33 34 void select_atom_not (void); 35 void select_atom_and (void); 36 void select_atom_or (void); 37 38 void select_residue_not (void); 39 void select_residue_and (void); 40 void select_residue_or (void); 41 42 void select_atom_id (const char *item); 43 void select_atom_res_id (const char *item); 44 void select_atom_occupancy (void); 45 void select_atom_b_factor (void); 46 void select_atom_in (void); 47 void select_atom_sphere (void); 48 void select_atom_close (void); 49 void select_atom_backbone (void); 50 void select_atom_peptide (void); 51 void select_atom_hydrogens (void); 52 void select_atom_element (const char *item); 53 54 void select_residue_molecule (const char *item); 55 void select_residue_model (void); 56 void select_residue_from_to (const char *item1, const char *item2); 57 void select_residue_id (const char *item); 58 void select_residue_type (const char *item); 59 void select_residue_chain (const char *item); 60 void select_residue_contains (void); 61 void select_residue_amino_acids (void); 62 void select_residue_waters (void); 63 void select_residue_nucleotides (void); 64 void select_residue_ligands (void); 65 void select_residue_segid (const char *item); 66 67 extern selection *current_atom_sel; 68 extern selection *current_residue_sel; 69