Hi all,
FormatConverter changes/additions in the 1.0.16 release:
- DataShifter:
- now handles copying of measurement lists and structure generations.
- now asks if molSystem and molecule mapping between the two
projects is correct. If not, you can give the copied object a new
name.
- fixed some small bugs
- Fixed issue with 'red' popups opening as squished windows on Mac. If
this still occurs, please let me know for which popups.
- Sequence import handling of chain codes improved. Most original chain
codes should now transfer into the CCPN chain code.
*** Format specific changes ***
- MARS:
- New format.
- Can produce input (sequence, chemical shifts, fixed assignment and
connectivity files), but have to set up spin systems correctly first.
Each set of peaks in the sequential backbone experiments has to be
assigned to resonances grouped into (i) and (i-1) spin systems, and
the assign names have to be set to the correct atom name.
- Can read the '_AA.out' assignment file - this will set the spin
system -> residue link (but will not join spin systems).
- Need Analysis modules to handle creation of spin systems and
validation of assignments.
*** Minor changes/fixes ***
- Fixed problem with chemComp handling for XEASY chemical shift output.
Bye,
Wim
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