Subject: Automated Peak Picking by APES
From: Arun Gupta
Date: Aug 2, 2017

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Hi Lee

I recently tried Automated peak picking by APES in NMRFAM-Sparky for my 3D HSQC 3D HNCO spectrum after providing Amino acid sequence .txt file ( 3 -letter amino acid code). Total number of amino acids in protein sequence = 168. However repeatedly I am getting this same error message.

Exception in Tkinter callbackTraceback (most recent call last):

File C:Program Filesnmrfam-sparky-win32pythonlib-tkTkinter.py, line 1489, in __call__

return self.func(*args)

File C:Program Filesnmrfam-sparky-win32pythonsparkyapes.py, line 380, in pick_cb

self.make_sequence_filter()

File C:Program Filesnmrfam-sparky-win32pythonsparkyapes.py, line 216, in make_sequence_filter

atms = atomnames.protein_atoms_by_group_2[seq]

KeyError: X

Plz suggest solution

Regards

Arun Gupta