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

<p>This repository contains the older and newer input fragment&nbsp;sets&nbsp;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 &#39;old&#39; or &#39;new&#39; 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.&nbsp;<br> <br> 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&nbsp;set.</p>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4

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