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rcedgar committed Jun 9, 2024
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### Reseek
<p align="left"><img src="https://drive5.com/images/reseek_logo.jpg" height="100"/></p>

Reseek is a novel protein structure alignment algorithm which doubles sensitivity in protein homolog detection
Reseek is a novel protein structure alignment algorithm which improves sensitivity in protein homolog detection
compared to state-of-the-art methods including DALI, TM-align and Foldseek with improved speed over Foldseek, the
fastest previous method.
fastest previous method.

Reseek is based on sequence alignment where each residue in the protein backbone is represented by a
letter in a novel “mega-alphabet” of 85,899,345,920 (∼10<sup>11</sup>) distinct states.
This approach enables rapid construction of multiple alignments of thousands of structures
using the pair-HMM method in Muscle5.

Method sensitivity was measured on the SCOP40 benchmark using superfamily as the truth standard, focusing
on the regime with false-positive error rates <10 per query, corresponding to E<10 for an ideal E-value.

This is a preview beta release, new features and improved documentation will hopefully follow soon.
Feedback is welcome via github Issues.

<pre>
All-vs-all alignment (excluding self-hits)
reseek -search STRUCTS -mode MODE -output hits.txt
reseek -search STRUCTS -mode MODE -output hits.tsv

Search query against database
reseek -search Q_STRUCTS -db DB_STRUCTS -mode MODE -output hits.txt
Search query structures against database
reseek -search Q_STRUCTS -db DB_STRUCTS -mode MODE -output hits.tsv

Align two structures
reseek -search NAME1.pdb -db NAME2.pdb -mode MODE -aln aln.txt

Output options for -search
-aln FILE # Alignments in human-readable format
-output FILE # Hits in tabbed text format with 8 fields:
# Evalue Query Target Qstart Qend Tstart Tend CIGAR
# Evalue Query Target
# (More output formats coming soon)

Search and alignment options
-mode MODE # veryfast|fast|sensitive|verysensitive (required)
-evalue E # Max E-value (default 10)
-mode MODE # veryfast|fast|sensitive (default fast)
-evalue E # Max E-value (default report all alignments)
-omega X # Omega accelerator (floating-point)
-minu U # K-mer accelerator (integer)
-gapopen X # Gap-open penalty (floating-point >= 0, default 1.1)
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