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Dear Brian Many thanks - that's been very useful. Best wishes David ________________________________________ From: CcpNmr software mailing list [[log in to unmask]] On Behalf Of Brian Smith [[log in to unmask]] Sent: 13 December 2010 15:08 To: [log in to unmask] Subject: Re: [aria discussion] Importing disulfide bridges I've just added a Howto to the CCPNMR Wiki on this topic. I could not quickly verify the formatConverter part of the process that I think I followed before, but my project is littered with old "application data" so a quick check with a simpler case should sort this out. http://sites.google.com/site/ccpnwiki/Home/howtos/aria-disulphides On Mon, 13 Dec 2010, David Yadin wrote: > I've tried importing my molecule including disulfide bridges from Analysis into ARIA 2.3.1 without success. In addition, if I use a molecule that lacks cysteine H-Gs but has no disulfide bridges, ARIA creates a molecule which has the H-G atoms. > > Is there something I'm doing wrong, or might this be due to the way ARIA reads the molecule from Analysis? > > I remember seeing the e-mail below a while ago so I thought I would re-open the discussion. > > Many thanks > > David Yadin > > -----Original Message----- > From: CcpNmr software mailing list [mailto:[log in to unmask]] On Behalf Of Robert Dagil > Sent: 03 November 2010 10:30 > To: [log in to unmask] > Subject: [aria discussion] Importing disulfide bridges > > I'm having trouble importing my disulfide bridges from my Analysis project to Aria 2.3.1. I've used the ccpn wiki to create my disulfide bonds in my chain (http://sites.google.com/site/ccpnwiki/Home/documentation/ccpnmr-analysis/howtos-1/create-disulfide-bridges-in-a-molecule), and from this I need to generate my disulfide restraints for Aria to import. How exactly do I do this? I actually thought that Aria could access the molecule chain data and create the restraints itself, but my guess is that they need to be in the "restraints and violation" window for it to be able to recognize them. > > > Thanks > > Robert Dagil, phd. student > -- Dr. Brian O. Smith ---------------------- Brian Smith at glasgow ac uk School of Life Sciences, College of Medical, Vetinary & Life Sciences, Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK. Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600 ---------------------------------------------------------------------- The University of Glasgow, charity number SC004401