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Molecule Member List

This is the complete list of members for Molecule, including all inherited members.
activeDrawMolecule
add_angles(int numangles, const int *angles)BaseMolecule
add_atom(char *name, char *type, int atomicnumber, char *resname, int resid, const char *chainid, const char *segname, char *insertion=(char *)"", const char *altloc="")BaseMolecule
add_bond(int, int, float, int=ATOMNORMAL)BaseMolecule
add_bond_dupcheck(int, int, float)BaseMolecule
add_cent_trans(float, float, float)Displayable
add_child(Displayable *)Displayable
add_coor_file(CoorData *)Molecule
add_cterms(int num, const int *cterms)BaseMolecule
add_dihedrals(int num, const int *dihedrals)BaseMolecule
add_glob_trans(float, float, float)Displayable
add_impropers(int num, const int *impropers)BaseMolecule
add_rep(AtomColor *, AtomRep *, AtomSel *, const Material *)DrawMolecule
add_rot(float x, char axis)Displayable
add_rot(const Matrix4 &)Displayable
add_volume_data(const char *name, const float *o, const float *xa, const float *ya, const float *za, int x, int y, int z, float *voldata)BaseMolecule
addForce(int theatom, const float *f)Molecule
addPersistentForce(int theatom, const float *f)Molecule
ALTLOC enum valueBaseMolecule
altlocNamesBaseMolecule
analyze(void)BaseMolecule
ANGLES enum valueBaseMolecule
anglesBaseMolecule
appDrawMolecule [protected]
append(int d)Displayable [inline, protected]
append_frame(Timestep *)DrawMolecule
atom(int n)BaseMolecule [inline]
atom_displayed(int)DrawMolecule
atom_fragment(int)BaseMolecule
atom_residue(int)BaseMolecule
ATOMICNUMBER enum valueBaseMolecule
atomNamesBaseMolecule
atomTypesBaseMolecule
BaseMolecule(int)BaseMolecule
beta()BaseMolecule [inline]
BFACTOR enum valueBaseMolecule
BONDORDERS enum valueBaseMolecule
bondorders()BaseMolecule [inline]
BONDS enum valueBaseMolecule
cacheskip(int onoff)Displayable
cancel()Molecule
cent_trans_off(void)Displayable [inline]
cent_trans_on(void)Displayable [inline]
cent_translating(void) constDisplayable [inline]
centtDisplayable
chainNamesBaseMolecule
change_center(float x, float y, float z)Displayable
change_material(const Material *)Displayable
change_pbc()DrawMolecule
change_rep(int, AtomColor *, AtomRep *, const char *sel)DrawMolecule
change_ts()DrawMolecule
charge()BaseMolecule [inline]
CHARGE enum valueBaseMolecule
child(int N) constDisplayable [inline]
child_index(Displayable *d)Displayable [inline]
childrenDisplayable [protected]
clear_bonds(void)BaseMolecule
clipplane(int i)Displayable [inline]
close_coor_file(CoorData *)Molecule
cmdListDisplayable [protected]
color_changed(int cat)Displayable
color_rgb_changed(int color)Displayable
color_scale_changed()Displayable
component(int)DrawMolecule
component_from_pickable(const Pickable *)DrawMolecule
components(void)DrawMolecule [inline]
compute_volume_gradient(VolumetricData *)BaseMolecule
count_bonds(void)BaseMolecule
cov(float &, float &, float &)DrawMolecule
CTERMS enum valueBaseMolecule
ctermsBaseMolecule
curr_material() constDisplayable
current()DrawMolecule [inline]
dataset_flag enum nameBaseMolecule
datasetflagsBaseMolecule
default_beta(void)BaseMolecule [inline]
default_charge(char *)BaseMolecule
default_mass(char *)BaseMolecule
default_occup(void)BaseMolecule [inline]
default_radius(char *)BaseMolecule
del_rep(int)DrawMolecule
delete_frame(int n)DrawMolecule
delete_material(int n, const MaterialList *)Displayable
dihedralsBaseMolecule
Displayable(Displayable *)Displayable
Displayable(Scene *)Displayable
displayed(void) constDisplayable [inline]
do_color_changed(int cat)Displayable [inline, protected, virtual]
do_color_rgb_changed(int color)Displayable [inline, protected, virtual]
do_color_scale_changed()Displayable [inline, protected, virtual]
doCentDisplayable [protected]
doGlobDisplayable [protected]
doRotDisplayable [protected]
doScaleDisplayable [protected]
draw(DisplayDevice *) constDisplayable
draw_prepare()Displayable
DrawMolecule(VMDApp *, Displayable *)DrawMolecule
duplicate_frame(const Timestep *)DrawMolecule
extraBaseMolecule
file_in_progress()Molecule [inline]
find_atom_in_residue(int atomnameindex, int residue)BaseMolecule [inline]
find_atom_in_residue(const char *atomname, int residue)BaseMolecule
find_bonds_from_timestep()BaseMolecule [inline]
find_unique_bonds_from_timestep()BaseMolecule [inline]
fix(void)Displayable [inline]
fixed(void) constDisplayable [inline]
force_recalc(int)DrawMolecule
fragListBaseMolecule
fragment(int)BaseMolecule
frame() constDrawMolecule [inline]
get_accession(int i) constMolecule [inline]
get_component_by_name(const char *)DrawMolecule
get_component_name(int)DrawMolecule
get_database(int i) constMolecule [inline]
get_file(int i) constMolecule [inline]
get_file_specs(int i) constMolecule [inline]
get_frame(int n)DrawMolecule [inline]
get_last_frame()DrawMolecule [inline]
get_new_frames()Molecule
get_remarks(int i) constMolecule [inline]
get_type(int i) constMolecule [inline]
get_volume_data(int)BaseMolecule
getbondorder(int atom, int bond)BaseMolecule
glob_trans_off(void)Displayable [inline]
glob_trans_on(void)Displayable [inline]
glob_translating(void) constDisplayable [inline]
globtDisplayable
has_structure() constBaseMolecule [inline]
highlighted_rep() constDrawMolecule
id(void) constBaseMolecule [inline]
impropersBaseMolecule
init_atoms(int n)BaseMolecule
INSERTION enum valueBaseMolecule
invalidate_ss()DrawMolecule
isFixedDisplayable [protected]
isOnDisplayable [protected]
mass()BaseMolecule [inline]
MASS enum valueBaseMolecule
max_childrenDisplayable [protected]
Molecule(const char *, VMDApp *, Displayable *)Molecule
moleculeGraphics() constDrawMolecule [inline]
moleculenameBaseMolecule [protected]
molname() constBaseMolecule [inline]
mult_scale(float s)Displayable
nAtomsBaseMolecule
need_find_bondsBaseMolecule [protected]
need_matrix_recalc(void)Displayable [inline]
need_secondary_structure(int)DrawMolecule
needUpdate(void)Displayable [inline]
next_frame()Molecule
nfragCyclicBaseMolecule
nfragListBaseMolecule
nFragmentsBaseMolecule
nNucleicFragmentsBaseMolecule
NODATA enum valueBaseMolecule
notify()DrawMolecule
nProteinFragmentsBaseMolecule
nResiduesBaseMolecule
nSegmentsBaseMolecule
num_angles()BaseMolecule [inline]
num_childrenDisplayable [protected]
num_cterms()BaseMolecule [inline]
num_dihedrals()BaseMolecule [inline]
num_files() constMolecule [inline]
num_impropers()BaseMolecule [inline]
num_volume_data()BaseMolecule
numframes() constDrawMolecule [inline]
nWatersBaseMolecule
occupancy()BaseMolecule [inline]
OCCUPANCY enum valueBaseMolecule
off(void)Displayable
on(void)Displayable
operator delete(void *, size_t)Displayable
operator new(size_t)Displayable
override_current_frame(int frame)DrawMolecule
parentDisplayable [protected]
pfragCyclicBaseMolecule
pfragListBaseMolecule
pick_cmd_list(void)Displayable [virtual]
pick_end(PickMode *, DisplayDevice *)Pickable [inline, virtual]
pick_move(PickMode *, DisplayDevice *, int, int, const float *)Pickable [inline, virtual]
pick_start(PickMode *, DisplayDevice *, int, int, const int *cell, int, const float *)Pickable [inline, virtual]
Pickable()Pickable [inline]
pickable_on(void)Displayable [virtual]
prepare()Molecule [virtual]
radius()BaseMolecule [inline]
RADIUS enum valueBaseMolecule
recalc_bonds(void)DrawMolecule
recalc_mat(void)Displayable [protected]
recalc_ss()DrawMolecule
record_database(const char *dbname, const char *dbcode)Molecule [inline]
record_file(const char *filename, const char *filetype, const char *filespecs)Molecule [inline]
record_remarks(const char *remarks)Molecule [inline]
register_monitor(DrawMoleculeMonitor *)DrawMolecule
remove_child(Displayable *)Displayable
remove_child(int N)Displayable [inline]
rename(const char *newname)Molecule
reset_disp_list(void)Displayable
reset_transformation(void)Displayable [virtual]
residue(int)BaseMolecule
residueListBaseMolecule
resNamesBaseMolecule
rot_off(void)Displayable [inline]
rot_on(void)Displayable [inline]
rotating(void) constDisplayable [inline]
rotmDisplayable
scaleDisplayable
scale_factor()DrawMolecule
scale_off(void)Displayable [inline]
scale_on(void)Displayable [inline]
scaling(void) constDisplayable [inline]
sceneDisplayable [protected]
segNamesBaseMolecule
set_cent_trans(float, float, float)Displayable
set_clip_center(int i, const float *center)Displayable [inline]
set_clip_color(int i, const float *color)Displayable [inline]
set_clip_normal(int i, const float *normal)Displayable [inline]
set_clip_status(int i, int mode)Displayable [inline]
set_dataset_flag(int flag)BaseMolecule [inline]
set_glob_trans(float, float, float)Displayable
set_rot(float x, char axis)Displayable
set_rot(const Matrix4 &)Displayable
set_scale(float s)Displayable
setbondorder(int atom, int bond, float order)BaseMolecule
show_rep(int repid, int onoff)DrawMolecule
test_dataset_flag(int flag)BaseMolecule [inline]
tmDisplayable
unfix(void)Displayable [inline]
unregister_monitor(DrawMoleculeMonitor *)DrawMolecule
update_material(const Material *mat)Displayable
volumeListBaseMolecule [protected]
~BaseMolecule(void)BaseMolecule [virtual]
~Displayable(void)Displayable [virtual]
~DrawMolecule()DrawMolecule [virtual]
~Molecule(void)Molecule [virtual]
~Pickable()Pickable [inline, virtual]

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