Re: AIC from ModeFree data

2008-04-03 Thread Edward d'Auvergne
Hi, The addition of the functions acting on the 'aic' run were correct. This is because the model selection copies the information of the selected run to the new 'aic' run (in the terminology of the future of relax, the contents of the selected data pipe are copied to the new and empty 'aic' data

Re: AIC from ModeFree data

2008-04-03 Thread Sébastien Morin
Hi Ed, Thanks for taking a look at this in a new thread ! For the script you proposed, as I had noticed yesterday, it won't work since the results.write() function asks for a sequence... relax> results.write(run=name, file='results', force=1) Opening the file 'aic/re

Re: AIC from ModeFree data

2008-04-03 Thread Edward d'Auvergne
On Wed, Apr 2, 2008 at 7:11 PM, Sébastien Morin <[EMAIL PROTECTED]> wrote: > > Hi, > > I tried to use the palmer.extract() function, with no real success... I have to admit that my Modelfree star format parser is not of very high quality. It woks if you use the palmer.py sample script, but obvi

Re: AIC from ModeFree data

2008-04-02 Thread Sébastien Morin
Hi, I tried to use the palmer.extract() function, with no real success... I had several error message during my first tries and manage to get rid of them with a script like : === runs = ['m1', 'm2', 'm3', 'm4', 'm5'] diff_tensor_Phi = 22.4 diff_tensor_Thet

Re: AIC from ModeFree data

2008-04-02 Thread Sébastien Morin
Hi Ed, Thanks for the tip ! I should have looked closer in the manual before asking... Cheers, Séb :) Edward d'Auvergne wrote: Hi, This is simple enough to do. The user function palmer.extract() will extract all the data (well that used by relax) out of Modelfree's mfout files. Regar

Re: AIC from ModeFree data

2008-04-02 Thread Edward d'Auvergne
Hi, This is simple enough to do. The user function palmer.extract() will extract all the data (well that used by relax) out of Modelfree's mfout files. Regards, Edward On Tue, Apr 1, 2008 at 11:41 PM, Sébastien Morin <[EMAIL PROTECTED]> wrote: > Hi, > > I have different model-free analysis t

AIC from ModeFree data

2008-04-01 Thread Sébastien Morin
Hi, I have different model-free analysis that originated from the program ModelFree (with results in a 'mfout' file). I would like to know if there is a way of loading these data to proceed to model selection by AIC using relax. I there ain't any way of doing this, I'll turn to the palmer.py s