ARIA Import to CCPN

Analysis Version 3
1

Hello,

I was wondering if there was a step by step somewhere that I’ve missed on how to import structure calculation data from ARIA into CCPN?

The tutorial on importing from XPLOR-NIH structure data was a fantastic help and I’ve managed to import both restraint tables and violation tables from XPLOR-NIH, but I am struggling to import the same data from the ARIA full.nef file. I’ve managed to get the restraint tables but struggling to get the violation table. I think that this information is contained in the full.nef file from the ARIA website but maybe CCPN isn’t picking up on it (ARIAweb tutorial: NEF data file)? I can see that there is another file that contains only the violation data () but it is not the right format to be imported as a .nef file (noe_restraints.violations).

ccpn_nefimport
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Apologies if I’ve missed something very obvious. Any help is very much appreciated, thanks so much!

All the best,

Katherine

2

Hi Katherine,

I think @ElizaP has has already been in touch with you by email about this. We have got some code to deal with this, but it’s still not completely tested. So hopefully with that you’ll be able to look at violations from ARIA. In due course once we’ve finished testing etc. we’ll make this more widely available.

Vicky