Python interface to chemfiles
0.9
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Tutorials
Python interface reference
Atom class
Residue class
Topology class
UnitCell class
Frame class
Trajectory class
Selection class
Tutorials
Python interface reference
Atom class
Residue class
Topology class
UnitCell class
Frame class
Trajectory class
Selection class
Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
L
|
M
|
N
|
O
|
P
|
R
|
S
|
T
|
U
|
V
|
W
A
add_atom() (chemfiles.Frame method)
add_bond() (chemfiles.Frame method)
(chemfiles.Topology method)
add_configuration() (in module chemfiles.misc)
add_residue() (chemfiles.Frame method)
add_velocities() (chemfiles.Frame method)
angle() (chemfiles.Frame method)
angles (chemfiles.Topology attribute)
(chemfiles.UnitCell attribute)
angles_count() (chemfiles.Topology method)
Atom (class in chemfiles)
atomic_number (chemfiles.Atom attribute)
B
BondOrder (class in chemfiles)
bonds (chemfiles.Topology attribute)
bonds_count() (chemfiles.Topology method)
bonds_order() (chemfiles.Topology method)
bonds_orders (chemfiles.Topology attribute)
C
cell (chemfiles.Frame attribute)
CellShape (class in chemfiles)
charge (chemfiles.Atom attribute)
chemfiles.misc (module)
ChemfilesError
ChemfilesWarning
close() (chemfiles.Trajectory method)
covalent_radius (chemfiles.Atom attribute)
D
dihedral() (chemfiles.Frame method)
dihedrals (chemfiles.Topology attribute)
dihedrals_count() (chemfiles.Topology method)
distance() (chemfiles.Frame method)
E
evaluate() (chemfiles.Selection method)
F
Frame (class in chemfiles)
full_name (chemfiles.Atom attribute)
G
guess_bonds() (chemfiles.Frame method)
H
has_velocities() (chemfiles.Frame method)
I
id (chemfiles.Residue attribute)
impropers (chemfiles.Topology attribute)
impropers_count() (chemfiles.Topology method)
L
lengths (chemfiles.UnitCell attribute)
list_properties() (chemfiles.Atom method)
(chemfiles.Frame method)
(chemfiles.Residue method)
M
mass (chemfiles.Atom attribute)
matrix (chemfiles.UnitCell attribute)
N
name (chemfiles.Atom attribute)
(chemfiles.Residue attribute)
nsteps (chemfiles.Trajectory attribute)
O
out_of_plane() (chemfiles.Frame method)
P
path (chemfiles.Trajectory attribute)
positions (chemfiles.Frame attribute)
properties_count() (chemfiles.Atom method)
(chemfiles.Frame method)
(chemfiles.Residue method)
R
read() (chemfiles.Trajectory method)
read_step() (chemfiles.Trajectory method)
remove() (chemfiles.Frame method)
remove_bond() (chemfiles.Frame method)
(chemfiles.Topology method)
Residue (class in chemfiles)
residue_for_atom() (chemfiles.Topology method)
residues_linked() (chemfiles.Topology method)
resize() (chemfiles.Frame method)
(chemfiles.Topology method)
S
Selection (class in chemfiles)
set_cell() (chemfiles.Trajectory method)
set_topology() (chemfiles.Trajectory method)
set_warnings_callback() (in module chemfiles.misc)
shape (chemfiles.UnitCell attribute)
size (chemfiles.Selection attribute)
step (chemfiles.Frame attribute)
string (chemfiles.Selection attribute)
T
topology (chemfiles.Frame attribute)
Topology (class in chemfiles)
Trajectory (class in chemfiles)
type (chemfiles.Atom attribute)
U
UnitCell (class in chemfiles)
V
vdw_radius (chemfiles.Atom attribute)
velocities (chemfiles.Frame attribute)
volume (chemfiles.UnitCell attribute)
W
wrap() (chemfiles.UnitCell method)
write() (chemfiles.Trajectory method)