Hello:
I have just finished my new Aria run with exportToCCPN.py updated. When I
loaded the CCPNMR project I still have the error messages. And while I
looked inside my unambig.tbl I have dicovered this line:
assign (segid " A" and resid 96 and name HN) (segid " A" and resid
94 and name HB) 4.822 0.634 0.634 weight 1.000 ! spec=3daroCnoesy,
no=169, id=85, vol=1.628858e+06
Thus in my 3daroCnoesy spectrum Aria2.2 makes assignment of CH peaks to an
amide group. So I wonder how people work with CCPNMR/Aria to get around this
bug. Can we believe unambig.tbl and ambig.tbl, just delete the wrong lines
and load the tables into CCPNMR with FormatConverter as Tim suggested? If we
can, what are the next steps people do in CCPNMR for NOESY spectra assignment?
Thank you in advance,
Vitaliy
|