This is again a maintenance release. The main feature (apart from the handling of some issues) is the pre-release of the new peak inference engine. It can be tested using the "PolyScope2" window, but don't try to open 3D C13-NOESY with large spin bases since the performance is not yet optimized for large numbers of peaks. (Up to 3D N15-NOESY is ok).
- New peak inference engine: still a work in progress. The incremental update network is not yet enabled. Because of this the performance is limited (i.e. the whole object base is recalculated with each change). So don't use it for large spin bases. I didn't have problems to open a HSQC/HNCA combination of an assigned project.
- Path simulation: new behaviour for NOESY experiments. If the NOESY-step is not the last step of the procedure, CARA takes all atoms of the corresponding type in the System (i.e. H-atoms) as the domain of the following steps. If its the last step, only the available spin links are used.
- New PolyScope2 for testing purpose (don't worry, I will replace the original PolyScope as soon as everything is ready). It looks and behaves nearly the same as the old version besides the following differences:
- It makes use of the new peak inference engine (still preliminary)
- It can show the spins of neighboring spin systems as ghost peaks (can be disabled using View-Show Ghost Peaks).
- The ghost peaks are displayed in gray and show a dot near the upper/lower left of the label (at higher/lower PPM value than current plane).
- Some other issues (see tracker): explicit menus for FP/BP, noise calculation in monoscope (View-Detect Maximum Amplitude), peak alias display, etc.
Cheers
Rochus