Message from Braden Roth (Jiscmail is being a pain so I’m sending):
To the CCPN community,
Here is my overall question: How to people analyze 4D data in CCPN?
Here is my history:
I have collected a non-uniformly sampled 4D [13C-15N] HSQC-NOESY-HSQC with 80x80x128 indirect points and processed the data using the NMRPipe plugin, SMILE. The data looks great but very large (my .ft4 file is ~30 GB). I am running 64-bit CCPNMR version 2.4.2 on a 2014 MacBook Pro running El Capitan (see screenshot below)
I can import the spectrum but my project becomes so slow that it’s impossible to use the data in any practical manner. For instance, it takes 10-20 seconds to pick single peak. I have tried to change the graphics handler from Tk to OpenGL but CCPN crashes (as documented in posts dating as recently as 2012). I have also tried using a linux box with Nvidia GeForce (cuda) video card, 6 GB system memory, and an i7 processor. I see no improvement in performance. In the case of my linux system, I’m again running a 64-bit version of Analysis 2.4.2.
My backbone and sidechain assignments have been made in CCPN so i’m hoping there’s a way to continue using that software with my 4D data. Can anyone offer advice for 4D data analysis in CCPN?
Thanks,
Brady
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