22-09-1999

The following new features have been implemented over the CNS0.9 standard release:

I have started to separate the internal data bases for the NOE routine and ARIA
a relaxation matrix correction for the target distances can be used
a problem with the countvio exclude command has been fixed
a new "list" file format has been implemented, which allows for improved conversion of aria format to the original peak list format

Some known problems:

the noe_higher array is (intentionally) overwritten by the calibration
the noe print statement does not work from within the simulated annealing protocol.
the relaxation matrix algorithm needs sometimes too much memory

07-01-2000

fixes:

the print statement works again
the memory allocation for the relaxation algorithm has been modified

10-04-2000

-use of compound parameters, obliterating two pages of parameters to be passed to run.cns

-refinement with residual dipolar couplings (up to 5 classes), either with Tjandra's method (SANI statement in CNS) or Griesinger's method (VEAN statement)

-relaxation matrix refinement for different spectra with different parameters (kind of useful)

-improved analysis scripts (writing their output to structures/it8/analysis and /structures/it8/water/analysis)

-some documentation has been added to the ARIA homepage (installation, dataformat, tutorial, etc.