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
|