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NMRView NvJ 7.0.15 Now Available




Still some testing to do with some of the new features/fixes, but I know some people are anxious for this release so here it is.

Possibly another release later in the week.



Adds/Fixes following:

Titration:
Adds a new module for titration analysis, including the (I believe) appropriate equation to fit. This still needs some work. When I release the new docs later this week I'll have a few lines about how to use it.

Cartesian Coordinates
NvJ now, as was the case with NvC, generates cartesian coordinates for the atoms when reading in a sequence file. Coordinates are generated by converting the internal coordinate system stored in the .prf files to cartesian coordinates. More testing needed, and there is as of yet no way to manipulate the dihedral angles and thereby change the coordinates. This will at least give meaningful short range distances in the NOE analysis (in the absence of reading in PDF files).

NOE calibration:
Fixed error that occurred when peaks are extracted that don't have valid atom assigments. More work on this will happen when I switch into updating the NOE analysis tools.

Spectrum Fonts:
The Peak, Label, and Cursor coordinates now all default to a SansSerif font, as this is always available on any Java system. You can change the font in the Preferences panel, or in the spectrum attributes panel.

Slices through spectra:
Fixed code for generating slices through 4D spectra. This wasn't working properly when the spectrum was displayed in the non-standard orientation. Related fix for properly displaying peaks on non- standard orientation 4D spectra.


RunAbout
    Fix so that an HSQC spectrum can be used as the reference spectrum.
Preliminary support for using hbhaconnh experiments (and in general experiments that connect protons with backbone amide). Changed the "Split Cluster" command so that it automatically generates a new peak in the reference list for the new cluster that is generated.