assign.hlp

   The assignment module implements a set of very simple assignment
tools.  It is completely written in the Gifa macro language, and as
such can be fully adapted to your needs.  Right now, it is principally
aimed toward protein and peptide assignment.

   You enter the module by choosing 'Assignment' in Mode menu.

   Here is a simple 'recipe' on how to use this module:

1) get a set of nice processed homonuclear 2D experiments somewhere on
the computer system.

2) create a new project, enter the primary sequence, and link all your
nice 2D into the spectra directory; then read-in the TOCSY.

3) peak-pick the TOCSY spectrum, at least on the finger print region
and copy it over into the assignment data-base, eventually redo so for
NH-side chain regions.

4) use the marker tool to note peak alignments, eventually confirm by
"showing" also the NOESY, or a TOCSY from other experimental
conditions.

5) once a spin system is found, and noted with one or several markers,
eventually create the corresponding additional peaks with marker tool,
create spins, and put them in the special "build-list";

6) promote the spin-list to a spin-system

7) go back to 4) as long as there are spin-systems to assign.

8) load the NOESY in place of the TOCSY

9) use the NH-NH region and the NH-Ha region to do the sequential
assignment, use the marker tool again to create new NOESY peaks in the
data-base. Check peaks and spins with the find peak and find spin
tools, use edit peak to add peaks in the NOESY data base.

10) once a sequential is found, modify the spin systems accordingly

11) go back to 9 as long as the sequential is not finished

12) assign all remaining NOESY peaks.

13) output the NOESY peaks in the form of a XPLOR constraint list
(this will become automatic soon !)  Thirteen steps, not such a big
deal after all !