Dear all,
I have just uploaded a patch to Analysis for the
EditPeakLists popup - Menu::Crosspeaks::Current Peak Lists
I have added two functions to create synthetic peak lists, these have
existed for a while as macros, but are now integrated properly.
One function creates a peak list for HSQCs (and similar) given a shift
list. Useful if you want to assign a new or overlapped HSQC based upon
the averaged shifts from other spectra.
The other function creates peak lists for NOESY spectra based upon a
structure, shift list and distance threshold. This function does not
predict peak intensities (yet), only the positions.
T.
-------------------------------------------------------------------------------
Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
-------------------------------------------------------------------------------
------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- -------
-------------------------------------------------------------------------------
|