Examples

Note that all these examples are for scripted calculations using the Paramagpy python module. Most of this functionality is also available by the GUI Graphic User Interface (GUI)

PCS data

• Fit Tensor to PCS Data
• Plot PCS isosurface (PyMol view)
• Fit multiple PCS datasets to common position
• Fit Tensor to PDB with Models
• Constrained Fitting
• Fit a tensor to PCS data with uncertainties
• Propagate Uncertainty to Fitted Tensor Parameters
• Fit to PCS data with offset, RACS and RADS corrections

RDC data

• Fit Tensor to RDC Data
• Calculate RDC from a known Tensor

PRE data

• Fit Tensor to PRE Data
• Calculate 15N PREs with cross-correlation effects
• Fit spectral power density tensor

CCR data

• Calculate Cross-correlated Relaxation