> Adding a new strip makes the new strip active, but using "navigate
> to" from another window sets the postition in both the new strip and
> the last active strip. This is also true for other commands that
> should go to just the active strip, like changing z-position using
> the slider.
Fixed for next release. Otherwise, in
$CCPN_HOME/python/ccpnmr/analysis/WindowPopup.py at about line 3540 just
after:
if len(self.window.axisPanels[0].axisRegions) > 1:
self.stripsButtons.buttons[1].enable()
Add the lines:
if col == -1:
self.activateStrip(len(self.window.axisPanels[0].axisRegions)-1)
else:
self.activateStrip(col)
> Using the "Find peak" button in the "Peak selection" Panel always
> finds the peak in the first strip and not in the currently active.
Ah. This function has pre-strip era code. Wayne is updating it now.
> The "Remove" strip button in the spectrum window does not remove the
> active strip, but the last strip.
Fixed. Again in $CCPN_HOME/python/ccpnmr/analysis/WindowPopup.py in the
function deleteCol(), just after:
N = len(self.window.axisPanels[0].axisRegions)
if N > 1:
active_col = self.getActiveStrip()
Add the lines:
if (col == -1) and (active_col != 'all'):
col = active_col
> If the an active strip is removed, the new active strip gets the z-
> position of the removed strip. (But the shown position is not altered
> until the "slider" is moved.)
Wayne is working on this one.
> I also have a "wish list":
>
> It would be great if the assignment panel had an option to show only
> possible assignments for which the sequence number is the same in two
> or more dimensions. This would for example help if a 3D 15N-NOESY
> spectrum is to be assigned, given a known HN and N assignment. Since
> these resonances always come in pairs it would be great to be able to
> remove all assignemt suggestions in which the HN and N belongs to
> different residues in one of the H dimensions and in the N-dimension.
This is already present in the latest versions of the Edit Assignment
panel. There are two options for this sort of thing:
1, Restrict to repeated spin systems []
2, Bound resonances []
These will limit the resonance possibilities for peak dimensions where a
resonance is in the same spin system as (1) or bound to (2) a resonance in
another dimension. Option (1) is useful if the resonances are in (possibly
unassigned) spin systems. Option (2) is useful if the resonances carry
atomic assignments.
In the future, with the imminent inclusion of ExperimentPrototypes, there
will be a further/replacement option to limit the resonances to only those
that are allowed according to the types and connectivities possible for
the peak's experiment.
> I would like a feature in which a known assignment and structure
> could be used to assign a NOESY-spectrum. Ansig for Windows has a
> feature in which all distances up to a given distance can be plotted
> in the NOESY spectrum as circles (larger circle = shorter distance)
> with the assignments. This makes it easy to make and verify
> assignemts in the spectrum.
A structure 'predicted' NOESY is a good idea. Wayne and I will discuss how
we might include this.
At the moment you can load in a structure and display the distances from
an assigned NOESY dimension to other possibilities in the Edit Assignment
panel. Also, these possibilities can be superimposed on the structure with
the [Show On Structure] function. Although, this is limited because you
have to have one end on the NOE tied down, it should help until we have a
better system.
> Something which probably is alread on your "to do" list is to read
> structures and compare them to constraint lists, make statistics and
> then produce a peak list with all violations. It would be very useful
> in stucture determinatinos!
This wasn't on my "to do" list, but it is now. :)
Tim
-------------------------------------------------------------------------------
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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