| csaPotTools | index csaPotTools.py |
Tools to aid with the Chemical Shift Anisotropy potential term
the following functions aid in creating, manipulating and analyzing
csaPot.CSAPot potential terms.
| Functions | ||
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| Data | ||
| csaData = [('C', 'bond', '132', -40, 0, (23.300000000000001, 71.200000000000003, -94.5), 21652.099999999999), ('P', 'bisect', '123', 0, 0, (-99.329999999999998, 19.670000000000002, 79.670000000000002), 47965.099999999999), ('N', 'bond', '231', -20, 11, (62.799999999999997, -108.5, 45.700000000000003), 21652.099999999999)] | ||