Table 1 Summary of existing NMR lineshape software. The shown MATLAB version is known to work with the indicated software but may not be the only version. “?” indicates unknown version. “N/A”: not available in the indicated software.

From: NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models

Name

Dependency

Extra requirements

Simulation functionality

Fitting functionality

TITAN12

NMRPipe

MATLAB R2016b*

Spec. acqu. parameters

2D lineshape only

Scripts-based

Up to 4 states

GUI-based

Up to 4 states

IDAP1,2

MATLAB R2014a

1D lineshape only

Scripts-based

Up to 6 states

Scripts-based

Up to 3 states

LineShapeKin Simulation1

MATLAB R2011b

1D lineshape only

Scripts-based

Up to 6 states

N/A

LineShapeKin13

MATLAB R2011b

1D lineshape only

N/A

Scripts-based

Up to 2 states

NMRKIN14

NMRLab

MATLAB?

1D lineshape only

Scripts-based

Up to 3 states

Scripts-based

Up to 3 states

  1. *TITAN currently has standalone version for OS X and Linux, but “some features of TITAN are not available in the standalone application, and are currently only accessible from within MATLAB”.
Back to article page