Package csb :: Package apps :: Module csfrag :: Class SecondaryShiftConverter

Class SecondaryShiftConverter

object --+
         |
        SecondaryShiftConverter

Helper, which reads assigned shifts from NMR STAR files and calculates corrected secondary shifts.

Instance Methods

dict

convert(self, file, chain)
Compute secondary shofts.

source code

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __init__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties
Inherited from `object`: `__class__`

Method Details

convert(self, file, chain)

source code

Compute secondary shofts.

Parameters:

file (str) - NMR STAR path and file name
chain (Chain) - the protein chain, containing the chemical shifts (Chain.from_sequence may be useful)

Returns: dict

dictionary of the form: [rank: [nucleus: sec shift]]