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Synopsis:
SCAssign (Side-Chain Assignment) is a Sparky extension written in Python to assist the assignment of aliphatic side-chain resonances of uniformly 13C,15N-labled large proteins. It is based on a general strategy recently developed in our lab, which makes use of 4D 13C,15N-edited NOESY, MQ-(H)CCmHm-TOCSY, and the prior backbone assignments. SCAssign runs on virtually all operating systems on which Sparky is available, and is easy to install, setup and use. The above screenshots show how it looks in Linux.
Features:
SCAssign offers plenty of useful features that can greatly accelerate the assignment process. Many tasks that used to take weeks or even months can now be done in just a few days. These features include:
- Import and isotope correction of chemical shifts from the prior backbone assignments
- Friendly GUI for defining (HN, N, C) spin triplets and examining the potential matching NOE peaks
- Real time peak picking and automatic peak match to the defined spin triplets
- Simultaneous view of both the current and the referential C-H planes for a more reliable assignment
- One-click to assign/unassign NOE peaks and auto-aliasing of the assigned peaks
- Strip plot in CCH-TOCSY of selected NOE peaks to confirm assignment or resolve ambiguity
- Ability to identify and assign many weak NOE peaks using CCH-TOCSY
Availability:
The source code of SCAssign is provided as free download at this website. The download page also contains a step-by-step installation guide. Once you have it installed, carefully read the instructions on how to setup and use SCAssign, and then try out with your own data (infeasible for us to provide download of sample data set due to the huge file size of 3D/4D spectra). Some known issues with SCAssign are also listed out for your information, together with the workaround. Feel free to contact us if you need further support.
