Hi Tim
>I would be grateful if you could see if there is still an issue after my
>recent fixes. The molSystem problem with the NOE linking was due to
>something deeper in Analysis in the AssignmentBasic module, where the
>matching of peakDim positions to shifts didn't filter molSystem assigned
>resonances. I am hoping that the matching for constraints was fixed at the
>same time because it uses the same function...
I have just tried this again now and there still seems to be a problem
(2000+ peaks are outside residue range).
I am not sure but there may be something wrong with the "Assignable residue
ranges" as when I set the Molecular System here to MS3 it seems to make no
difference to the resulting Shift Match Report (I get the same results
whatever I set the Molecular System to). Also when I set it to MS3 then I
would expect the end residue to be 172 in the Assignable residue ranges but
it remains at 202, the same value as MS1.
Dont know if that helps or not, its more tricky when there is no error message.
Cheers
Ben
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