pNMRsim specifications

Information


Unique identifier OMICS_03386
Name pNMRsim
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Windows
Computer skills Advanced
Version 15.08.13
Stability Stable
Maintained Yes

Subtools


  • magres2pNMRsim
  • pNMRproc

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Documentation


Additional information


The Windows binaries are currently experimental. An experimental combined gsim and pNMRsim Windows package is also available at https://www.dur.ac.uk/paul.hodgkinson/pNMRsim/gsim22beta_pnmrsimV150813.zip

pNMRsim in publication

PMCID: 5396389
PMID: 28111874
DOI: 10.1002/cphc.201601003

[…] the power levels for each probe such that the peak nutation frequencies were the same., numerical simulations of the decay of 13c magnetisation in the presence of 1h decoupling were performed using pnmrsim, as described in ref.  and reproduced here in the supporting information. spin systems are labelled as chn, with n indicating the number of protons coupled to the central carbon atom. […]


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pNMRsim funding source(s)
Supported by EPSRC grants GR/S56993, EP/H023291 and a Royal Society International Joint Project with the ENS Lyon.

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