Hello,

The latest FormatConvert (release 15) and Analysis (release 14) releases
have just gone live.  Below are the Analysis changes listed by Tim.  There
is another change in that all the dialogs should now remember where they
were located in between runs (but we still open up with all non-graphical
windows closed, in theory that could change as well in future, if people
thought it was a good idea).  This change has meant migration of code from
one directory to another and that is always a potential source of bugs,
but hopefully we've squashed them now.

Wim can catch you up with changes in the FormatConverter.

Wayne

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General graphing for ScrolledMatrix

  Applies to tables with numerical columns within Analysis. You can plot
one column agaist another. This uses ScrolledGraph, which is
very basic at the moment, but improvements will follow in time.

Postscript output for ScrolledMatrix and ScrolledCanvas

  Accessible via the right mouse menu. Applies to all scrolling tables
within analysis and graphical displays/graphs (like the assignment
graph and NOE matrix). A simple implementation only which outputs only
what is visible on the screen.

Position/peak based macros

  A macro menu has been put into the right mouse menu of WindowPopup.
Macros can be added to this in the main menu Macros:Edit Macros. Any
macros that are run from Window popup can make use of the cursor position,
closest peak etc. The objects are available through argServer functions:

 getCurrentPeak      # Closest peak under the cursor
 getCurrentWindow    # Spectrum window containing cursor
 getCurrentSpectra   # Visible spectra in current window
 getCurrentPeakLists # Visible peak lists in current window
 getCurrentPosition  # Tuple of (x,y) cursor position in axes units

Macroing system fixes

  If a macro fails to load the real Python error is now passed forward so
that you can see exactly where anything may be wrong in the code. Also
macros that are invalid/broken can be removed easily from the project.

Spectrum data dimension chemical shift weighting

  This may be useful if you have a spectrum with broad/imprecise peaks
that you don't want to infulence shift vaules, or if you're automatically
assigning a NOESY and you don't want any guessed peaks to have an
effect.

  In Edit Spectra when you set tolerances you can set the shift weighting
for any dimension. The weighting defaults to 1 and takes a value between 0
and 1. When chemical shift values are calculated (by averaging the
positions of all the peaks that they may be assigned to) these weightings
are taken into account. A weighting of 1 will have twice as much influence
on the avaraged shift as a weighting of 0.5.

Assignment fixes and improvements

  Assigning directly to ambigous mappings is now functional (this
necessarily involes the addition of an extra resonance to a peakDim).

  If non-sterospecific pair of resonances exist and one is susequently
assigned stereospecifically then the other in the pair becomes the other
sterospecific option. E.g. for Hba, Hbb when Hba changes to Hb3, Hbb
automatically becomes Hb2.

  If you assign a resonance to atom type only then any existing or
subsequent spin system assignment will cause the resonance to be fully
assigned if the atom type is appropriate for the residue.

  For prochiral pairs the 'a' label is always the upfield resonance. This
adjusts automatically according to the existance and position of the other
resonance.

Tim
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 Dr Tim Stevens                 Email: [log in to unmask]
 Department of Biochemistry            [log in to unmask]
 University of Cambridge        Phone: +44 1223 766022 (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
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