I've just tried and it does. But for the project I was trying I didn't recalculate new restraints, since the residue numbers were immediately updated by CCPN in my old restraint lists.
But the error is when assigning spectra - in the case a protein spectra that is only intramolecular, and the protein residues numbers were not changed.
MESSAGE [Project]: -------------------- Assigning spectra --------------------
MESSAGE [Project]: Creating seed assignment for spectrum "15N-NOHS2" ...
WARNING [Project]: More than 90% of the cross peaks could not be assigned. This
might be due to interchanged frequency dimensions or
undersized frequency windows. Please check your setup.
Kind regards
Teresa Almeida
PhD student
Department of Chemistry/Department of Biochemistry
University of Liverpool
Liverpool
L69 7ZD
United Kingdom
________________________________________
From: CcpNmr software mailing list [[log in to unmask]] on behalf of Brian Smith [[log in to unmask]]
Sent: 15 May 2015 16:46
To: [log in to unmask]
Subject: Re: change residue number
Does makeRestraints within analysis generate any restraints?
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089
----------------------------------------------------------------------
The University of Glasgow, charity number SC004401
________________________________________
From: CcpNmr software mailing list [[log in to unmask]] on behalf of Almeida, Teresa [[log in to unmask]]
Sent: 15 May 2015 16:42
To: [log in to unmask]
Subject: Re: change residue number
Hi,
Thanks a lot for both replies.
I used an old xml file (worked before) and made sure I reopened all peak lists, spectra, etc.
My initial template (runX/cns/begin/something_template.pdb) is written and has the updated residue numbers. However, my folder runX/data/begin is empty.
Kind regards
Teresa Almeida
PhD student
Department of Chemistry/Department of Biochemistry
University of Liverpool
Liverpool
L69 7ZD
United Kingdom
________________________________________
From: CcpNmr software mailing list [[log in to unmask]] on behalf of Brian Smith [[log in to unmask]]
Sent: 15 May 2015 16:27
To: [log in to unmask]
Subject: Re: change residue number
My suspicion in both your cases is that this is an ARIA problem. Did you use a fresh ARIA project in a fresh directory, or could you have some carry over? First place I would look is in the runX/data/begin/something_template.pdb file to see if the residue numbering etc. has worked.
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089
----------------------------------------------------------------------
The University of Glasgow, charity number SC004401
________________________________________
From: CcpNmr software mailing list [[log in to unmask]] on behalf of Beate Bersch [[log in to unmask]]
Sent: 15 May 2015 16:16
To: [log in to unmask]
Subject: Re: change residue number
Dear Teresa
I am afraid that I cannot help you, but I already encountered a similar error when I tried to change residue numbers within a CCPNMR project that was used for an aria structure calculation: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1412&L=CCPNMR&F=&S=&X=51D1ED23AAA44CFB64&Y=beate.bersch%40ibs.fr&P=12886
I posted this in december 2014.
However, I also know that a PhD student in our group managed to do exactly what we wanted to do. I have no clue what went wrong and I did not get any reply last december ...
Good luck !
Beate
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