Again a new week and a new CARA release. Some fixes and changes done.
- All scopes now support the LUA command. If you entered it, CARA expects a common Lua command line, closing with return key. This gives the same behaviour as if you went to the terminal pane and entered the command there.
- New Systems pane in CARA Explorer. It's identical to the one found in PolyScope and HomoScope.
- Convert to CARA spectrum now first presents the rotate dialog, enhanced by an atom type popup per dimension. You can use it to fix a wrong atom type guess by CARA and to store a spectrum in another dimension order.
- All scopes now immediately display contour plots. CARA tries to make a reasonable guess for the minimal contour level. This guess can be wrong and result in a very long rendering time. My own experiments give rise to the hope that this shouldn't occur to often. Anyway you now save the 10 seconds to switch from intensity to contour. Auto contour is turned on by default.
- The default threshold for file based spectrum access was raised to 200 MB (100 MB before).
- Changed the mnemonic of Pick System from PS to PY in all scopes (since there was a name clash with Prev. Spectrum).
- There is a new spectrum calibration dialog in Explorer, where you can enter the offsets explicitly (instead of digging in the CARA file).
- Phaser starts now both angles from 0.
- Debugged some crashes with PolyScope/Export To MonoScope
- Did some changes to the pathway simulation, e.g. self-detection of an atom now respects PPM ranges, TOCSY steps are now also executed in neighbor residue types, etc. Please note that CARA always starts the first procedure step within the current residue type (i, neither i-1 nor i+1). There is no need to always orientate an experiment to i-1, e.g. the CccoNH can be executed so it presents the TOCSY tower of residue i, starting from HN/N of i+1. The latter can be copied from the right neighbor using a Lua script (the same as for the CA-1).
- The function "Show Neighbors" has new semantics. Use it to switch on/off the display of spins with non-zero offsets (only effects peak inference, not spin links).
- Poly/HomoScope now only show spin links for NOESY spectra. If you want to see the links also for other spectra, select the option "Show all Peaks".
- The rubber band meter of all scopes now shows the width and height also in Hz (in brackets behind the PPM value).
- New function "Delete Spin Links" for PolyScope strips.
- PolyScope now has a separate label format menu for strips. The old one has moved from View to Plane. The label format is also followed when exporting the peaks to MonoScope or a peak list.
- MonoScope now also shows the selected peaks in the status line and cycles through a peak cluster with each click.
- Many other fixes, please check Tracker for details.
- Known problems: if you select the Systems category and then another category in the CARA explorer, the program will crash when editing spins or spin systems. This only occurs on Unix, not on Windows.
Cheers
Rochus