AVS

Introduction

Assignment validation suite (AVS) checks the chemical shifts list in BioMagResBank (BMRB) format for a number of possible problems such as IUPAC labeling errors, chemical shifts that are grossly outside the typical range for the particular atom/residue, and reports useful statistics information about the examined chemical shift set (e.g. percent assignments, number of stereospecifically assigned methlys, percents aromatic sidechain assignments, etc).   AVS is run on every chemical shift set that is submitted to the BMRB, and can be included as part of the Protein Structure Validation Suite (PSVS) run.  It is advisable to run any chemical shift validation prior to structure determination steps in order to uncover gross problems with the assignments that would impact the performance of noesy assignments and structure calculation downstream. 

Practical Aspects

A number of version for the AVS routine exist that are adapted for different bmrb versions  (2.1 or 3.1)

Editing in progress

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