Dear all,
I am facing some problems with the Nexus automatic assignment routine
and the usage of HNCA spectra.
I have the following spectra:
1. HNCA (i & i-1 CA peaks in the same strip);
2. iHNCA (i CA)
3. HNCOCA (i-1 CA)
and others.
Focussing on alpha carbons, I have first initialized the HSQC spectrum,
then assigned by root the spin system for each spectra and linking the
peaks and the spin systems.
When I use the Nexus interface, one problem arises. If I consider all
the three experiments at the same time in many cases (most of them,
actually) I see the warning "too many CA" or similar because I have
picked both the CA peaks in the HNCA and only single peaks: indeed, if I
do not include HNCA, I get almost no errors (each system contains from
the other two experiments only one peak, it's hence obvious which is the
i and which the i-1, the attribution is unequivocal). However, using an
HNCA could be nice for complementing some missing information (bad
magnetization transfer, missing peaks, overlapped peaks): is there any
way to use it in the spirit of automatic assignment ? Manipulating
prototypes ?
Of course automation needs unequivocal spin attribution, but ... this
issue would be glad to get.
Thanks in advance.
Luca
--
......................................................
Luca Mollica
Protein Dynamics and Flexibility by NMR
Institut de Biologie Structurale
UMR 5075 CNRS/CEA/UJF
41 rue Jules Horowitz
38027 Grenoble Cedex 01
E-mail: [log in to unmask] ([log in to unmask])
Skype: lucamollica
Telephone: +33.438783889
I was shocked at college to see one hundred of my classmates in the library all reading copies of the same book. Instead of doing as they
did, I went into the stacks and read the first book written by an author whose name began with Z. I received the highest grade in the class. That convinced me that the institution was not being run correctly.
I left.
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