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OK, I think I might have tracked down what the problem is. The first time you click the Launch ARIA GUI button and it asks the question about whether you want to overwrite the existing ARIA project file, I think it pays attention to whether you say Yes or No. But the second (third, etc.) times it doesn't seem to pay attention to what you say but always assumes the answer is No. Well, this is at least what seems to happen on one of our Linux boxes, and it seems to be to be a bug in the Tk function we are using, so not in our code. One workaround is to always choose a new ARIA project file everytime you want to launch the GUI, so it doesn't ask the question. (Or delete the existing one on disk first, if you want to use the same filename each time.) By the way, I got one thing wrong in my earlier email. So Analysis does write out the ARIA project file. But ARIA can further refine that when you launch the ARIA GUI (etc.). Wayune On Thu, 21 Jun 2012, Dieter Buyst wrote: > Hi, > Yes, that's more or less what I did: select a new run, imported 1 peak list and no > restraint list (It's a completely new project where only the assignment is finished at > this stage). Setting the ARIA project file is the first thing that's giving me > trouble. The difference is, that when I don't specify a XML-file, the ARIA GUI doesn't > launch but keeps on asking to specify one. When I do specify a XML-file it asks me > wether I want to keep or override this XML-file. No matter what I choose, (override or > keep) the GUI then launches but doesn't display any peak or restraint list, just the > error message I've included earlier. > > Dieter > > > Op 21-jun.-2012, om 17:03 heeft Wayne Boucher het volgende geschreven: > > Hello, > > OK, that helps me understand a bit more! > > Let me tell you what I've done to try and figure out what is going on, so > to see if it is similar to what you've done. > > In that Analysis ARIA dialog I selected New Run and then I added a couple > of NOESY peak lists and some restraint lists. Setting the ARIA Project > File didn't seem to work properly for me so I'll look into that as well. > That might be part of the problem. > > Then I hit "Launch ARIA GUI" and in that I can see the peak lists (under > Spectra) and the various restraint lists (under Dihedral angles, Hydrogen > bonds, etc., dependent on the restraint type). So are you not seeing any > of those?? > > Wayne > > On Thu, 21 Jun 2012, Dieter Buyst wrote: > > Hi, > > > indeed, this error pops up when I try to launch Aria via the > 'CcpNmr Analysis - Structure - Aria Structure Calculation' > dialog. Then I get the ARIA setup window to specify the peak > list etc. It's just when everything is set up and you have to > specify the ARIA project file and then click 'Launch ARIA > GUI', the GUI starts up but doesn't seem to be able to read > the information from the CcpNmr project. I can launch the Aria > GUI on it's own without any problems, just the import process > from CcpNmr to ARIA doesn't seem to work properly, at least > with CcpNmr 2.2. > > > Dieter > > > Op 21-jun.-2012, om 15:48 heeft Wayne Boucher het volgende > geschreven: > > > Hello, > > > We're not 100% sure of how you are doing this. So > are you using the CcpNmr Analysis Structure --> > ARIA dialog? If so, then Analysis does not import > the information from the ARIA Project file into > Analysis but instead that file is only written to, > and by ARIA not Analysis. The "Setup Project" > button in effect is like running "aria -s ****" > and the "Launch ARIA GUI" is in effect like > running "aria -gui ****", where **** is that > specfied file name. The main point of that > Analysis dialog is to let you set up details like > peak list selection (etc.) there rather than in > the ARIA GUI. So the alternative is to completely > ignore this dialog and instead just to save the > CCPN project and then import the CCPN project and > make the selections completely inside the ARIA > GUI. > > > But are you saying instead that you are having a > problem working completely inside the ARIA GUI?? > > > Wayne > > > On Thu, 21 Jun 2012, Dieter Buyst wrote: > > > Hello, > > > I'm working on Mac OS X 10.7 (lion) > with CCPNMR 2.2.2 (fully updated) and > have the problem that I can't import > the data from a ccpnmr-project into > ARIA 2.3.1 to launch a structure > calculation. When everything is set > up, the only thing left to do is to > import an ARIA project file, in which > you need to specify the location of > the ccpnmr project. When you select > it, it doesn't seem to be able to > import the data, only when you > specifically select an XML-file does > it launch the ARIA GUI. First it ask > if you want to override the current > XML-project file, but then it doesn't > matter what you choose, it refuses to > import the data or gives the following > error message: > > > MESSAGE [GUI]: Could not load project: > USER ERROR > <aria.AriaXML.AriaXMLPickler> File > "/Users/Dieter/Documents/aria2.3/src/py/aria/AriaXML.py", > line 256 in load_relaxed > /Users/Dieter/Documents/Doctoraat/Projectenccpnmr/Projecten/Wild_Type/ccpnmr/Analysis/Wild_Type+Wild_Type_dieter_2012-05-04-16-22-29-989 > _00001.xml: USER ERROR > <aria.AriaXML.AriaXMLPickler> File > "/Users/Dieter/Documents/aria2.3/src/py/aria/AriaXML.py", > line 222 in parse_doc_type Unknown > DOCTYPE: "None". Check your XML file. > > > A co-worker is experiencing the exact > same problem and she is working on > Ubuntu also with CCPNMR 2.2.2. The > thing is, when she tries to do the > same thing with CCPNMR 2.1.5, > everything works just fine. Could this > be a bug specific for the 2.2 version > ? > > > In the command line the traceback is > the following: > > > Traceback (most recent call last): > > File > "/Users/Dieter/Documents/aria2.3/src/py/aria/gui/gui.py", > line 655, in load_project > > project = > pickler.load_relaxed(filename) > > File > "/Users/Dieter/Documents/aria2.3/src/py/aria/AriaXML.py", > line 256, in load_relaxed > > x = self.__load(filename, gzip) > > File > "/Users/Dieter/Documents/aria2.3/src/py/aria/AriaXML.py", > line 244, in __load > > self.error(Exception, '%s: %s' % > (filename, msg)) > > File > "/Users/Dieter/Documents/aria2.3/src/py/aria/ariabase.py", > line 211, in error > > raise exception, msg > > Exception: USER ERROR > <aria.AriaXML.AriaXMLPickler> File > "/Users/Dieter/Documents/aria2.3/src/py/aria/AriaXML.py", > line 256 in load_relaxed > > /Users/Dieter/Documents/Doctoraat/Projectenccpnmr/Projecten/Wild_Type/ccpnmr/Analysis/Wild_Type+Wild_Type_dieter_2012-05-04-16-22-29-989 > _00001.xml: USER ERROR > <aria.AriaXML.AriaXMLPickler> File > "/Users/Dieter/Documents/aria2.3/src/py/aria/AriaXML.py", > line 222 in parse_doc_type > > Unknown DOCTYPE: "None". Check your > XML file. > > > Regards, > > > Dieter > > > > > >