Re: Dispersion Back Calculation

2016-11-15 Thread Jeremy Anderson
That is extremely useful information, thanks! Jeremy Anderson Ph.D. Candidate Johns Hopkins University Program in Molecular Biophysics Laboratory of Dr. Vincent J. Hilser, Ph.D. 3400 N Charles St, 104 Mudd Hall Baltimore, MD 21218 (Lab) *410-516-6757* (Cell) 715-613-0274 On Tue, Nov 15,

Re: Dispersion Back Calculation

2016-11-15 Thread Edward d'Auvergne
On 15 November 2016 at 14:33, Jeremy Anderson wrote: > Hi Edward, > > Thanks for the follow up. I totally understand the reasons for not having > fixed values within a relax analysis, it seems like a special case relative > to what I've seen in the literature and increases ones

Re: Dispersion Back Calculation

2016-11-15 Thread Jeremy Anderson
Hi Edward, Thanks for the follow up. I totally understand the reasons for not having fixed values within a relax analysis, it seems like a special case relative to what I've seen in the literature and increases ones ability to skew the results to their liking, I'm doing my best to safeguard

Re: Dispersion Back Calculation

2016-11-11 Thread Edward d'Auvergne
On 27 October 2016 at 18:10, Jeremy Anderson wrote: > Hi Edward and Troels, > > Thanks for pointing me in the right direction. I had dug around a bit in > the test_suite directory but wanted to make sure I was looking in the right > place before I descended into the rabbit

Re: Dispersion Back Calculation

2016-10-27 Thread Jeremy Anderson
Hi Edward and Troels, Thanks for pointing me in the right direction. I had dug around a bit in the test_suite directory but wanted to make sure I was looking in the right place before I descended into the rabbit hole. I got the back calculation to work using the

Re: Dispersion Back Calculation

2016-10-27 Thread Edward d'Auvergne
On 21 October 2016 at 00:14, Jeremy Anderson wrote: > Hello, > > I've been trying to back calculate data from parameters using the NS MMQ > 3-site linear model. I've tried to do something akin to the > sample_scripts/model_free/generate_ri.py sample script as described in the >

Re: Dispersion Back Calculation

2016-10-22 Thread Troels Schwarz-Linnet
Hi Johns. Look into ./test_suite/system_test/relax_disp.py And through there find the corresponding system tests and then the data files there, to get the structure. For making a create data point script, that create data files upon parameters, maybe randomize something, and then read the