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 property)
(chemfiles.UnitCell property)
angles_count() (chemfiles.Topology method)
Atom (class in chemfiles)
atomic_number() (chemfiles.Atom property)
B
BondOrder (class in chemfiles)
bonds() (chemfiles.Topology property)
bonds_count() (chemfiles.Topology method)
bonds_order() (chemfiles.Topology method)
bonds_orders() (chemfiles.Topology property)
C
cell() (chemfiles.Frame property)
CellShape (class in chemfiles)
charge() (chemfiles.Atom property)
chemfiles.misc (module)
ChemfilesError
ChemfilesWarning
close() (chemfiles.Trajectory method)
covalent_radius() (chemfiles.Atom property)
D
dihedral() (chemfiles.Frame method)
dihedrals() (chemfiles.Topology property)
dihedrals_count() (chemfiles.Topology method)
distance() (chemfiles.Frame method)
E
evaluate() (chemfiles.Selection method)
F
Frame (class in chemfiles)
full_name() (chemfiles.Atom property)
G
guess_bonds() (chemfiles.Frame method)
H
has_velocities() (chemfiles.Frame method)
I
id() (chemfiles.Residue property)
impropers() (chemfiles.Topology property)
impropers_count() (chemfiles.Topology method)
L
lengths() (chemfiles.UnitCell property)
list_properties() (chemfiles.Atom method)
(chemfiles.Frame method)
(chemfiles.Residue method)
M
mass() (chemfiles.Atom property)
matrix() (chemfiles.UnitCell property)
N
name() (chemfiles.Atom property)
(chemfiles.Residue property)
nsteps() (chemfiles.Trajectory property)
O
out_of_plane() (chemfiles.Frame method)
P
path() (chemfiles.Trajectory property)
positions() (chemfiles.Frame property)
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 property)
size() (chemfiles.Selection property)
step() (chemfiles.Frame property)
string() (chemfiles.Selection property)
T
Topology (class in chemfiles)
topology() (chemfiles.Frame property)
Trajectory (class in chemfiles)
type() (chemfiles.Atom property)
U
UnitCell (class in chemfiles)
V
vdw_radius() (chemfiles.Atom property)
velocities() (chemfiles.Frame property)
volume() (chemfiles.UnitCell property)
W
wrap() (chemfiles.UnitCell method)
write() (chemfiles.Trajectory method)