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Bioinformatics Advance Access originally published online on September 11, 2006
Bioinformatics 2006 22(22):2833-2834; doi:10.1093/bioinformatics/btl477
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© The Author 2006. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org

SCAssign: a sparky extension for the NMR resonance assignment of aliphatic side-chains of uniformly 13C,15N-labeled large proteins

Lei Zhang 1 and Daiwen Yang 2,*

1 Graduate Program in Bioengineering, National University of Singapore 10 Medical Drive, 117597 Singapore
2 Department of Biological Sciences, National University of Singapore 14 Science Drive 4, 117543 Singapore

*To whom correspondence should be addressed.

Summary: SCAssign (side-chain assignment) is a Sparky extension written in Python to assist the NMR resonance assignment of aliphatic side-chains of uniformly 13C,15N-labled large proteins. It is based on a general strategy recently developed in our laboratory that makes use of 4D 13C,15N-edited NOESY, 3D MQ-(H)CCmHm-TOCSY, and prior backbone assignments. The program runs on all operating systems for which Sparky is available, and is easy to install, setup and use. Not only can it accelerate the assignment process, it also allows assignments of weak NOEs in 4D NOESY, which used to be very difficult with manual approach.

Availability: The program, in the form of source code, is provided as free download at http://yangdw.science.nus.edu.sg/SCAssign. The website also contains installation guide, user manual and demonstrations recorded in Flash.

Contact: Bug reports, questions or comments should be sent to dbsydw{at}nus.edu.sg.

Received on July 11, 2006; revised on September 4, 2006; accepted on September 4, 2006

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