SCAssign: a sparky extension for the NMR resonance assignment of aliphatic side-chains of uniformly 13C,15N-labeled large proteins.
SCAssign (side-chain assignment) is a Sparky extension written in Python to assist the NMR resonance assignment of aliphatic side-chains of uniformly (13)C,(15)N-labeled large proteins. It is based on a general strategy recently developed in our laboratory that makes use of 4D (13)C,(15)N-edited NOESY, 3D MQ-(H)CC(m)H(m)-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.


BACKGROUND
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.
Zhang
Lei
L
Graduate Program in Bioengineering, National University of Singapore 10 Medical Drive, 117597 Singapore.
Yang
Daiwen
D
D000465:Algorithms; D000818:Animals; D002247:Carbon Isotopes; D002352:Carrier Proteins / Q000737:chemistry; D019295:Computational Biology / Q000379:methods*; D006454:Hemoglobins / Q000737:chemistry; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D058619:Maltose-Binding Proteins; D009587:Nitrogen Isotopes; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D012984:Software
D002247:Carbon Isotopes; D002352:Carrier Proteins; D006454:Hemoglobins; D058619:Maltose-Binding Proteins; D009587:Nitrogen Isotopes