Hello,
I think I have faced a bug during the conversion of RDC restraints into
ARIA/CNS format. I have got the output which looks like:
ASSIGN (resid 999 and name OO )
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(segid " A" and resid 3 and name N )
(segid " A" and resid 3 and name HN ) 10.5000 0.5000 1.0000
Providing Aria with this file leads to the errors and finally Aria stops. I
dug out in *.out files that the third value (1.0000 above) is not
recognized. If I manually correct the .tbl file then Aria runs smoothly.
Indeed, in the Aria manual the RDC .tbl format has only two values: rdc and
error. This is a link:
http://www.pasteur.fr/recherche/unites/Binfs/aria/aria1.2/html/manual/manual/node22.html
I have "CCPNMR Analysis Version 1.0. Release 15" installed with all updates.
Seems the bug slipped through somehow.
Thank you,
Vitaliy
