nmrsim
stable
Contents:
Introduction to nmrsim v0.5.1 (beta)
Installation
Overview of the nmrsim Top-Level API
Interactive NMR Demo
Overview of the Lower-Level nmrsim API
Demo: Simulation of Tyrosine NMR Spectrum
Explanation of First-Generation QM Model
Contributing to nmrsim
Developers Guide
Acknowledgements
nmrsim
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Index
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Index
A
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D
|
F
|
G
|
H
|
J
|
K
|
L
|
M
|
N
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P
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Q
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R
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S
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V
|
W
A
AABB() (in module nmrsim.discrete)
AAXX() (in module nmrsim.discrete)
AB() (in module nmrsim.discrete)
AB2() (in module nmrsim.discrete)
ABX() (in module nmrsim.discrete)
ABX3() (in module nmrsim.discrete)
add_lorentzians() (in module nmrsim.math)
add_peaks() (in module nmrsim.math)
D
dnmr_AB() (in module nmrsim.dnmr)
dnmr_two_singlets() (in module nmrsim.dnmr)
DnmrAB (class in nmrsim.dnmr)
DnmrTwoSinglets (class in nmrsim.dnmr)
F
first_order_spin_system() (in module nmrsim.firstorder)
G
get_intensity() (in module nmrsim.math)
get_maxima() (in module nmrsim.math)
H
hamiltonian_dense() (in module nmrsim.qm)
hamiltonian_sparse() (in module nmrsim.qm)
J
J (nmrsim.dnmr.DnmrAB attribute)
,
[1]
K
k (nmrsim.dnmr.DnmrAB attribute)
,
[1]
(nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
L
limits (nmrsim.dnmr.DnmrAB attribute)
,
[1]
(nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
lineshape() (nmrsim.dnmr.DnmrAB method)
,
[1]
(nmrsim.dnmr.DnmrTwoSinglets method)
,
[1]
lorentz() (in module nmrsim.math)
M
mplplot() (in module nmrsim.plt)
mplplot_lineshape() (in module nmrsim.plt)
mplplot_stick() (in module nmrsim.plt)
multiplet() (in module nmrsim.firstorder)
N
nmrsim (module)
nmrsim.discrete (module)
nmrsim.dnmr (module)
nmrsim.firstorder (module)
nmrsim.math (module)
nmrsim.plt (module)
nmrsim.qm (module)
normalize_peaklist() (in module nmrsim.math)
P
pa (nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
points (nmrsim.dnmr.DnmrAB attribute)
,
[1]
(nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
Q
qm_spinsystem() (in module nmrsim.qm)
R
reduce_peaks() (in module nmrsim.math)
S
secondorder_dense() (in module nmrsim.qm)
secondorder_sparse() (in module nmrsim.qm)
solve_hamiltonian() (in module nmrsim.qm)
V
va (nmrsim.dnmr.DnmrAB attribute)
,
[1]
(nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
vb (nmrsim.dnmr.DnmrAB attribute)
,
[1]
(nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
W
w (nmrsim.dnmr.DnmrAB attribute)
,
[1]
wa (nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
wb (nmrsim.dnmr.DnmrTwoSinglets attribute)
,
[1]
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