I invested the last three days to again optimize CARA for use in solid-state and homonuclear NMR (and to fix minor other things).
- Magnetization Path Simulation: a path now contains complete spin labels, not only atom tags. If the residue type of a spin system is not known or the magnetization procedure is empty, a cross product of all labels of the dimensions of the spectrum type are used instead. This makes it easier to use HomoScope, PolyScope and SystemScope in sequential assignment.
- HomoScope/PolyScope:
- New view flags "Show inferred peaks" and "Show unlabeled spins" ("Show spin links" was already introduced in 1.0.3).
- New option "Create Spin Link" (which is on by default) to suppress the creation of spin links if new spins are picked (i.e. by "Pick System" or "Extend hori/verti", etc.).
- PolyScope now offers all features of HomoScope and most features of SynchroScope.
- Edit Spectrum Types: new consistency rule avoids saving or loading spectrum types, if the atom type of a procedure step doesn't match the atom type of the referenced dimension (if any).
- Phaser: changed the sign of phase 0 (phi) to be compatible to Bruker.
- All Scopes: new selection scheme. If spin-peaks are selected, the number and some of the labels of the selected peaks are indicated in the status bar. If the user clicks on a peak representing a cluster (i.e. many overlapping or nearly degenerate peaks) without pressing the SHIFT key, the status bar states the number of peaks in the cluster and the label of one of them. Continous clicks loop through the cluster, changing the selected peak with each click (updating the label in the status bar).
Cheers
Rochus