Difference between revisions of "Hnco.m"
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{{DISPLAYTITLE:hnco.m}} __NOTOC__ | {{DISPLAYTITLE:hnco.m}} __NOTOC__ | ||
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Phase-sensitive HNCO pulse sequence from | Phase-sensitive HNCO pulse sequence from | ||
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==Syntax== | ==Syntax== | ||
| − | fid=hnco(spin_system,parameters,H,R,K) | + | fid=hnco(spin_system,parameters,H,R,K) |
==Arguments== | ==Arguments== | ||
| − | parameters.npoints - a vector of three integers giving the | + | parameters.npoints - a vector of three integers giving the |
number of points in the three temporal | number of points in the three temporal | ||
dimensions, ordered as [t1 t2 t3]. | dimensions, ordered as [t1 t2 t3]. | ||
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==Outputs== | ==Outputs== | ||
| − | fid - three-dimensional free induction decay | + | fid - three-dimensional free induction decay |
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==Examples== | ==Examples== | ||
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An HNCO spectrum of ubiquitin (examples/nmr_proteins/hnco_ubiquitin_theo.m) appears below. | An HNCO spectrum of ubiquitin (examples/nmr_proteins/hnco_ubiquitin_theo.m) appears below. | ||
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==Notes== | ==Notes== | ||
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Spin labels must be set to PDB atom IDs ('CA', 'HA', etc.) in sys.labels for this sequence to work properly. | Spin labels must be set to PDB atom IDs ('CA', 'HA', etc.) in sys.labels for this sequence to work properly. | ||
==See also== | ==See also== | ||
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[[hncoca.m]], [[protein.m]], [[noesy.m]], [[noesyhsqc.m]], [[hsqc.m]] | [[hncoca.m]], [[protein.m]], [[noesy.m]], [[noesyhsqc.m]], [[hsqc.m]] | ||
''Version 2.3, authors: [[Luke Edwards]], [[Ilya Kuprov]]'' | ''Version 2.3, authors: [[Luke Edwards]], [[Ilya Kuprov]]'' | ||
Revision as of 15:49, 5 April 2026
Phase-sensitive HNCO pulse sequence from
http://dx.doi.org/10.1016/0022-2364(90)90333-5
using the bidirectional propagation method described in
http://dx.doi.org/10.1016/j.jmr.2014.04.002
The sequence is hard-wired to work on 1H, 13C, 15N proteins and uses PDB labels to select spins that will be affected by otherwise ideal pulses. F1 is N, F2 is CO, F3 is H.
Syntax
fid=hnco(spin_system,parameters,H,R,K)
Arguments
parameters.npoints - a vector of three integers giving the
number of points in the three temporal
dimensions, ordered as [t1 t2 t3].
parameters.sweep - a vector of three real numbers giving
the sweep widths in the three frequen-
cy dimensions, ordered as [f1 f2 f3].
parameters.tau - the three delays required for the ope-
ration of the sequence (see the paper)
in seconds. Reasonable values are
[2.25e-3, 14e-3, 4e-3]
parameters.f1_decouple - logical switch controlling proton de-
coupling during the T1 period.
H - Hamiltonian matrix, received from context function
R - relaxation superoperator, received from context function
K - kinetics superoperator, received from context function
Outputs
fid - three-dimensional free induction decay
Examples
An HNCO spectrum of ubiquitin (examples/nmr_proteins/hnco_ubiquitin_theo.m) appears below.
Notes
Spin labels must be set to PDB atom IDs ('CA', 'HA', etc.) in sys.labels for this sequence to work properly.
See also
hncoca.m, protein.m, noesy.m, noesyhsqc.m, hsqc.m
Version 2.3, authors: Luke Edwards, Ilya Kuprov
