Again a maintenance release. Expect the following changes:
- Repaired crash because of Systems category. You may now use it without problems. Also other crash sources removed.
- New implementation for ppm points and spin tuples saving memory and gaining speed. Tradeoff is that the maximum number of supported spectrum dimensions is now limited to four. If you need more, work with an older version.
- Sorting in spin system lists of Poly, Homo and StripScope repaired
- SystemScope, Poly/Homo/StripScope: new menu "Accept Label" to change a bunch of equal ?x to one x and many ?.
- Optimized spin labeling in Poly/HomoScope (larger label selection, Label spin with dialog box, new LZ in PolyScope)
- PolyScope has new commands AG and ZAG to optimize the auto contour feature with a new parameter autocontour factor (>0). Default is 2.0. If you set it e.g. to 1.0, the contour will automatically show more noise. So you can fine tune the auto contour without being forced to set a fixed contour threshold. Try it and give me feedback. I will then equip all other scopes also.
- "Export atom list" now only exports spins with non-empty and non-draft labels (i.e. no "?"). If the spin system is assigned, only valid atom tags are exported. If residue-option is selected, only assigned spins/systems are exported.
- StripScope: "link to reference" only available for predecessor/successor based strip selections. Works accordingly, no more guessing using fitness value.
- New function "Flatten spectrum.." in Explorer Tools menu. You can open a 3 or 4 dimensional spectrum and select two dimensions, on which everything else will be projected. Saved as *.nmr format.
- Cara now supports an extended Bruker spectrum parameter file format which includes the attribute ##$NUC. The procs, proc2s, etc. can now contain one of the following lines each: "##$NUC= <1H>", "##$NUC= <13C>" or "##$NUC= <15N>".
- Some other issues resolved. Check the tracker.
Cheers
Rochus