Hello,
We've just put a set of new releases on the website (FormatConverter,
Analysis and subsidiary ones). These contain the usual assortment of bug
fixes and new functionality.
Perhaps the biggest change is in the data model, where there is now a new
way of doing ChemComps and the Nmr package has been split in two (the
constraints going to a new package called NmrConstraints). This should
not matter to most people, other than reporting back to us if you have any
problems reading old project files.
For Analysis users (Wim will comment on the FormatConverter), this is one
of those releases where the C code has to be re-compiled. And you also
need to link in an extra *.so file (this happens automatically if you use
the installCode.py script):
cd ccpnmr/ccpnmr1.0/python/ccpnmr/analysis
ln -s ../../../c/ccpnmr/global/FitMethod.so .
This release also contains the first attempt at putting some strip plot
functionality in, but it's still woefully early days on that front.
There was a bug fix for reading Felix matrix files (it was getting the
reference point and shift swapped and the shift was in Hz rather than
ppm).
There is now some depth and alias cueing for peaks.
You can now have multiple shift lists.
There is now some rates analysis to measure T1, T2, etc. (using curve
fitting).
The argServer now has a getCurrentWindowPopup() function.
There is now a new right-mouse menu options under the Peak sub-menu: 'Make
intermediate peak' which puts a peak at the average of a group of peaks.
That's about it on the Analysis front (I think).
Wayne
|