Resonance Assignment/AutoAssign WebServer

Introduction

In 2009, the members of the Rutgers group (Gautam Singh and Janet Huang) developed a freely accessible web version of AutoAssign (nmr.cabm.rutgers.edu/autoassign). This web version also provides a consensus approach for automated backbone resonance assignments to take advantage of both AutoAssign and PINE programs. The AutoAssgin web interface can submit jobs them to both AutoAssign server and PINE web-sever. It will immediately show the results from the AutoAssign server. Once the PINE results are available by e-mail, the user can then upload the PINE result into AutoAssign web interface. The AutoAssign web interface will then show a comparison chart where the user can easily find different resonance assignments between these two programs. This comparison chart can generally guide user for further investigation of resonances assigned differently by AutoAssign and PINE. The resonances assigned by both programs generally have higher accuracy confidences.

Using the AutoAssign WebServer

Stand-Alone Assignment Comparison Tool

Gautam has also written a stand-alone assignment comparison tool which can be accessed on-line at this link.  The user uploads bmrb files in either 2.1 or 3.0 format for comparison.  At this point, tolerances for comparison of assignments are hard-wired in the code:  ¹H, 0.02; ¹⁵N, 0.2; ¹³C, .

-- Jim Aramini - 10 Nov 2009