Rna-Nmr-Decoys

Atomistic decoy sets for RNAs in PDB that were solved using NMR, and for which NMR chemical shift data is available. Decoy sets consist of: <br> - structures in the corresponding NMR bundle<br> - structures generated using FARFAR<br> - structures extracted from MD simulations (simulations were initiated from the first model in the corresponding NMR bundle) Contained in each folder are:<br> - coordinates/ - coordinate files of decoys in PDB format (compressed with .gzip)<br> - chemical_shifts.txt - NMR chemical shifts<br> - struct.txt - structural comparison info for decoys relative to the solve NMR structures Coordinate files can be decompressed using by executing: ./decompress-coordinates.sh<br>