diff --git a/README.md b/README.md index c03ef1b..3082571 100644 --- a/README.md +++ b/README.md @@ -1,22 +1,24 @@ -### Reseek +
-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 (∼1011) 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.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 @@ -24,12 +26,12 @@ Align two structures 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)