NMRView News

[Bruce Johnson <nmrview@xxxxxxx>]

Hi Everybody,

Time for a little NMRView News.

Quite a few people are waiting for the newest NvJ version, especially  
for two features.  First, I'm tweaking RunAbout so it works with  
other types of datasets besides the ones I've been using from the  
Ubiquitin test data.  In particular, there have been some problems if  
you're using HSQC reference experiments rather than HNCO.  Second,   
if you're entering peak lists in manually rather than using the  
"Guess Lists" feature some key parameters don't get set up properly  
so not all the datasets/peaklists get displayed.  This is obviously a  
problem if your lists aren't names exactly the same as the standard  
lists.  Both these problems are fixed, I'm just doing a little more  
testing right now.

The second major new feature is the titration analysis code.  While I  
have a number of things to add it is now working and supports the  
commonly used quadratic fitting equation.


Next, we're actively working on getting new docs out (hi Josh).   
RunAbout docs are in progress and I'll be integrating them (even if  
they're not fully done) into a new version of all the docs later this  
week.

As soon as I release the version with the RunAbout fixes mentioned  
above (and a variety of other bug fixes), and I hope to do this  
tomorrow,  I'll be finishing the RunAbout code for doing side chain  
assignments, and then it's on to NOEs.

Performance:  While NvJ is pretty good in some areas, it lags in  
others.  Starting tomorrow I have someone (a PhD student in computer  
science at NJIT) working full time for the summer on benchmarking,  
profiling and improving performance (both in terms of speed and  
memory usage).

cheers,

Bruce