paramagpy.dataparse.read_pcs¶
- paramagpy.dataparse.read_pcs(fileName)[source]¶
Read pseudo contact shift values from file. The returned object is a dicationary. They keys are tuples of (sequence, atomName) The values are tuples of (value, error)
- Parameters
fileName (str) – the path to the file
- Returns
values – a dictionary containing the parsed data
- Return type
Examples
>>> values = paramagpy.dataparse.read_pcs("calbindin_Er_HN_PCS_errors.npc") >>> for v in values.items(): ... print(v) ... ((2, 'H'), (-0.04855485, 0.0016)) ((2, 'N'), (-0.03402764, 0.0009)) ((4, 'H'), (-0.18470315, 0.0004)) ... ((75, 'H'), (0.19553661, 0.0005)) ((75, 'N'), (0.17840666, 0.0004))