Python interface to chemfiles
0.8
Site
Tutorials
Python interface reference
Page
Index
A
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B
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C
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D
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E
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F
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G
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H
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I
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L
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M
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N
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O
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P
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R
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S
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T
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U
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V
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W
A
add_atom() (chemfiles.Frame method)
(chemfiles.Residue method)
(chemfiles.Topology method)
add_bond() (chemfiles.Frame method)
(chemfiles.Topology method)
add_configuration() (in module chemfiles.utils)
add_residue() (chemfiles.Frame method)
(chemfiles.Topology method)
add_velocities() (chemfiles.Frame method)
angle() (chemfiles.Frame method)
angles() (chemfiles.Topology method)
(chemfiles.UnitCell method)
angles_count() (chemfiles.Topology method)
Atom (class in chemfiles)
atom() (chemfiles.Frame method)
(chemfiles.Topology method)
atomic_number() (chemfiles.Atom method)
atoms() (chemfiles.Residue method)
B
bonds() (chemfiles.Topology method)
bonds_count() (chemfiles.Topology method)
C
cell() (chemfiles.Frame method)
CellShape (class in chemfiles)
charge() (chemfiles.Atom method)
chemfiles (module)
chemfiles.utils (module)
ChemfilesError
close() (chemfiles.Trajectory method)
contains() (chemfiles.Residue method)
covalent_radius() (chemfiles.Atom method)
D
dihedral() (chemfiles.Frame method)
dihedrals() (chemfiles.Topology method)
dihedrals_count() (chemfiles.Topology method)
distance() (chemfiles.Frame method)
E
evaluate() (chemfiles.Selection method)
F
Frame (class in chemfiles)
full_name() (chemfiles.Atom method)
G
get() (chemfiles.Atom method)
(chemfiles.Frame method)
guess_topology() (chemfiles.Frame method)
H
has_velocities() (chemfiles.Frame method)
I
id() (chemfiles.Residue method)
impropers() (chemfiles.Topology method)
impropers_count() (chemfiles.Topology method)
L
lengths() (chemfiles.UnitCell method)
M
mass() (chemfiles.Atom method)
matrix() (chemfiles.UnitCell method)
N
name() (chemfiles.Atom method)
(chemfiles.Residue method)
natoms() (chemfiles.Frame method)
(chemfiles.Residue method)
(chemfiles.Topology method)
nsteps() (chemfiles.Trajectory method)
O
out_of_plane() (chemfiles.Frame method)
P
positions() (chemfiles.Frame method)
R
read() (chemfiles.Trajectory method)
read_step() (chemfiles.Trajectory method)
remove() (chemfiles.Frame method)
(chemfiles.Topology method)
remove_bond() (chemfiles.Frame method)
(chemfiles.Topology method)
Residue (class in chemfiles)
residue() (chemfiles.Topology method)
residue_for_atom() (chemfiles.Topology method)
residues_count() (chemfiles.Topology method)
residues_linked() (chemfiles.Topology method)
resize() (chemfiles.Frame method)
(chemfiles.Topology method)
S
Selection (class in chemfiles)
set() (chemfiles.Atom method)
(chemfiles.Frame method)
set_angles() (chemfiles.UnitCell method)
set_cell() (chemfiles.Frame method)
(chemfiles.Trajectory method)
set_charge() (chemfiles.Atom method)
set_lengths() (chemfiles.UnitCell method)
set_mass() (chemfiles.Atom method)
set_name() (chemfiles.Atom method)
set_shape() (chemfiles.UnitCell method)
set_step() (chemfiles.Frame method)
set_topology() (chemfiles.Frame method)
(chemfiles.Trajectory method)
set_type() (chemfiles.Atom method)
set_warnings_callback() (in module chemfiles.utils)
shape() (chemfiles.UnitCell method)
size() (chemfiles.Selection method)
step() (chemfiles.Frame method)
string() (chemfiles.Selection method)
T
Topology (class in chemfiles)
topology() (chemfiles.Frame method)
Trajectory (class in chemfiles)
type() (chemfiles.Atom method)
U
UnitCell (class in chemfiles)
V
vdw_radius() (chemfiles.Atom method)
velocities() (chemfiles.Frame method)
volume() (chemfiles.UnitCell method)
W
wrap() (chemfiles.UnitCell method)
write() (chemfiles.Trajectory method)