From def1fc1eea40d501179b13d784e1306dad61e0d4 Mon Sep 17 00:00:00 2001 From: Martin Steinegger Date: Fri, 10 May 2024 02:01:54 +0900 Subject: [PATCH] Update README.md --- README.md | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/README.md b/README.md index a474e6e4..8d5f47c1 100644 --- a/README.md +++ b/README.md @@ -29,8 +29,8 @@ Foldseek enables fast and sensitive comparisons of large protein structure sets. - [Cluster](#cluster) - [Output](#output-cluster) - [Important Parameters](#important-cluster-parameters) - - [Complexsearch](#complexsearch) - - [Output](#complex-search-output) + - [Complexsearch](#multimersearch) + - [Output](#multimer-search-output) - [Main Modules](#main-modules) - [Examples](#examples) @@ -222,26 +222,26 @@ MCAR...Q | --lddt-threshold | Alignment | accept alignments with an alignment LDDT score > thr | -### Complexsearch -The `easy-complexsearch` module is designed for querying one or more protein complex (multi-chain) structures (supported input formats: PDB/mmCIF, flat or gzipped) against a target database of protein complex structures. It reports the similarity metrices between the complexes (e.g., the TMscore). +### Multimersearch +The `easy-multimersearch` module is designed for querying one or more protein complex (multi-chain) structures (supported input formats: PDB/mmCIF, flat or gzipped) against a target database of protein complex structures. It reports the similarity metrices between the complexes (e.g., the TMscore). -#### Using Complexsearch +#### Using Multimersearch The examples below use files that can be found in the `example` directory, which is part of the Foldseek repo, if you clone it. If you use the precompiled version of the software, you can download the files directly: [1tim.pdb.gz](https://github.com/steineggerlab/foldseek/raw/master/example/1tim.pdb.gz) and [8tim.pdb.gz](https://github.com/steineggerlab/foldseek/raw/master/example/8tim.pdb.gz). -For a pairwise alignment of complexes using `easy-complexsearch`, run the following command: +For a pairwise alignment of complexes using `easy-multimersearch`, run the following command: ``` -foldseek easy-complexsearch example/1tim.pdb.gz example/8tim.pdb.gz result tmpFolder +foldseek easy-multimersearch example/1tim.pdb.gz example/8tim.pdb.gz result tmpFolder ``` -Foldseek `easy-complexsearch` can also be used for searching one or more query complexes against a target database: +Foldseek `easy-multimersearch` can also be used for searching one or more query complexes against a target database: ``` foldseek databases PDB pdb tmp -foldseek easy-complexsearch example/1tim.pdb.gz pdb result tmpFolder +foldseek easy-multimersearch example/1tim.pdb.gz pdb result tmpFolder ``` -#### Complex Search Output +#### Multimer Search Output ##### Tab-separated-complex -By default, `easy-complexsearch` reports the output alignment in a tab-separated file. +By default, `easy-multimersearch` reports the output alignment in a tab-separated file. The default output fields are: `query,target,fident,alnlen,mismatch,gapopen,qstart,qend,tstart,tend,evalue,bits,complexassignid` but they can be customized with the `--format-output` option e.g., `--format-output "query,target,complexqtmscore,complexttmscore,complexassignid"` alters the output to show specific scores and identifiers. | Code | Description | @@ -263,7 +263,7 @@ The default output fields are: `query,target,fident,alnlen,mismatch,gapopen,qsta ``` ##### Complex Report -`easy-complexsearch` also generates a report (prefixed `_report`), which provides a summary of the inter-complex chain matching, including identifiers, chains, TMscores, rotation matrices, translation vectors, and assignment IDs. The report includes the following fields: +`easy-multimersearch` also generates a report (prefixed `_report`), which provides a summary of the inter-complex chain matching, including identifiers, chains, TMscores, rotation matrices, translation vectors, and assignment IDs. The report includes the following fields: | Column | Description | | --- | --- | | 1 | Identifier of the query complex |