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13Check_RNA: a tool to evaluate 13C chemical shift assignments of RNA
A A Icazatti1, O A Martin1, M Villegas1
1Instituto de Matemática Aplicada San Luis, Universidad Nacional de San Luis, CONICET, San Luis, Argentina.
Motivation:
Chemical shifts (CS) are an important source of structural information of macromolecules such as RNA. In addition to the scarce availability of CS for RNA, the observed values are prone to errors due to a wrong re-calibration or miss assignments. Different groups have dedicated their efforts to correct CS systematic errors on RNA. Despite this, there are not automated and freely available algorithms for evaluating the referencing of RNA 13 C CS before their deposition to the BMRB or re-reference already deposited CS with systematic errors.
Results:
Based on an existent method we have implemented an open source python module to correct 13 C CS (from here on 13Cexp) systematic errors of RNAs and then return the results in 3 formats including the nmrstar one.
Availability And Implementation:
This software is available on GitHub at https://github.com/BIOS-IMASL/13Check_RNA under a MIT license.
Supplementary Information:
Supplementary data are available at Bioinformatics online.
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