Data to accompany the paper "Improved fragment-based protein structure prediction by redesign of search heuristics"

This repository contains the older and newer input fragment sets and other data used for the analyses in our paper. The filenames for each tarball contain the PDB identifier of each protein along with a chain ID if applicable, followed by 'old' or 'new' for old and new fragments, respectively. Each tarball contains: a .fasta file of the input sequence, a matching PDB structure file, the relevant PSIPRED secondary structure prediction file, and the 9mer and 3mer fragment files. 

An additional tarball, ScoreRMSDplots_3protocols.tgz, contains extended versions of Figure 3 which show score and RMSD distributions clearly. Additionally, the same data is shown for equivalent experiments using the older fragment set.