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CCPNMR Home

CCPNMR  April 2007

CCPNMR April 2007

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Subject:

new releases out

From:

Wayne Boucher <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Tue, 10 Apr 2007 19:09:15 +0100

Content-Type:

TEXT/PLAIN

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Parts/Attachments

TEXT/PLAIN (69 lines)

Hello,

Releases 1.0.17 of the FormatConverter and 1.0.14 of Analysis are live, in
the usual spot:

  http://www.ccpn.ac.uk/ccpn/software/downloads/

(I'll update the C API release tomorrow.)  As well as lots of bug fixes
the new features (that we could remember) are listed at the bottom.  For
people with existing >= 1.0.12 releases of Analysis you should be able to
get the upgrade by using the Project --> Upgrade dialogue.

Tcl/Tk 8.4.14 is now the officially supported Tcl/Tk, but your existing
versions of Tcl/Tk should work fine (assuming they have in the past, that
is).

There is some functionality in the new release for displaying 1D spectra.
You can also view 1D slices out of >1D spectra in these windows but we
have noticed (but not had time to fix) various bugs on that front so those
will be fixed in due course.  We wanted this functionality out there so
that people who actually need this can tell us what is right and what is
wrong with it (and we know we have a long way to go on this front).

There is also functionality to print specific window regions.  (For some
reason, my Mac now objects to the PS output but it worked fine with gv.
And PDF seems to be ok even on my Mac.)

For Sparky fans, you can now also have 2-character shortcuts.  This is
selectable under the Other --> General Options dialog.

Wayne

<LI>Added functionality for displaying 1D spectra (but lots still needs to
bedone).  In the Window --> New Window dialog these are obtained by
selecting the y axis to be of type 'value'.
<LI>There is now an option to have 2-char shortcuts.  This can be selected
in the Other -> General Options dialog (the last checkbutton option).  The
way 2-char shortcuts work is that if there is a 1-char shortcut that
matches the first character typed then that will be run, otherwise it will
run the 2-char shortcut when the second character is typed (if there is a
matching one).
<LI>There is a new way to re-reference a spectrum by aligning a peak from
that spectrum on top of a peak from anoter spectrum.  You first select the
peak whose spectrum you want to re-reference and then select the peak
which it should be aligned to in the fixed spectrum.  With these two peaks
selected, and the mouse over the fixed peak, you then choose the right
mouse menu Peak --> Re-reference to this peak option, which brings up a
dialog which lets you change the referencing.
<LI>With the Window --> Print Window dialog you can now specfiy exact
regions to print (rather than what you see on the screen).  To do this
select the "Use override region when printing" option.
<LI>Added ability to ambiguate prochiral resonances.
<LI>Addition of functionality for slow exchange and Lagmuir curve fitting.
<LI>Data Analysis --> Rates Analysis now copes with 'num delays' series.
<LI>Allow selection of a reference plane in a pseudo-3D, which won't be
used in fitting.
<LI>Added option to go to the previous group when calculating rates and
following shifts.
<LI>User can edit initial molecular system and chain codes.
<LI>Added first version of popup to efficiently link NOE peaks to existing
resonances given shift and structure information.
<LI>Changes to allow some control of which windows a spectrum is mapped
into upon load.
<LI>Added clear connections button in structure viewer. Fixed refresh
after dist method change.
<LI>Added 'Scrollbars' and 'Crosshair traces' options to mouse menu.
<LI>Added z1,z2 region scrolling with middle mouse wheel plus
ctrl/shift/alt.

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