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README.md

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**Check the step-by-step tutorial at [bonvinlab.org/education/haddock-runner](https://www.bonvinlab.org/education/haddock-runner/)**
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```bash
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Usage: haddockrunner [options] <input file>
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Usage: haddock-runner [options] <input file>
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Run HADDOCK benchmarking
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Run HADDOCK on a dataset of complexes
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Options:
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-version: Print version and exit
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-setup: Only perform the setup, do not execute the benchmark
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```
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- `input.yml`

docs/src/home.md

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![image](./banner_home-mini.jpg)
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The `haddock-runner` is an effort to reduce code duplication and to streamline the execution of HADDOCK benchmarks.
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The `haddock-runner` is an effort to reduce code duplication and to streamline
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the execution of HADDOCK benchmarks.
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It is a standalone program, freely available at [https://github.com/haddocking/haddock-runner](https://github.com/haddocking/haddock-runner).
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It is designed to be used with both the production-ready [HADDOCK2.4](/software/haddock2.4), the pre-release _HADDOCK2.5_ and the experimental (unpublished) [HADDOCK3](/software/haddock3) versions.
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It is designed to be used with both [HADDOCK2.4/5](/software/haddock2.4), and
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[HADDOCK3](/software/haddock3) versions.
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When running a benchmark, users/developers may be interested in the following (in no specific order):
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When running a benchmark, users/developers may be interested in the following
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(in no specific order):
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- The quality of the docking results when using different parameters
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- Comparing the results of different versions
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## Getting help
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If you encounter any issues or have any questions, please open an issue on the [GitHub repository](https://github.com/haddocking/haddock-runner), contact us at _[email protected]_ or join the [BioExcel forum](https://ask.bioexcel.eu) and post your question there.
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If you encounter any issues or have any questions, please open an issue on the
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[GitHub repository](https://github.com/haddocking/haddock-runner), contact us at _[email protected]_ or join the [BioExcel forum](https://ask.bioexcel.eu) and post your question there.

docs/src/how-does-it-work.md

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The execution of the `haddock-runner` consists of a few steps:
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1. Set up the benchmark
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- Copy the target structures to the location where the HADDOCK run will be executed
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2. Set up the HADDOCK run

docs/src/installation.md

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# Installation
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The tool is designed for users/students/developers that are familiar with HADDOCK and command-line scripting, and have access to an HPC infrastructure.
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The tool is designed for users/students/developers that are familiar with
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HADDOCK and command-line scripting, and have access to an HPC infrastructure.
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If this is the first time you are using HADDOCK, please first familiarize yourself with the software by running the basic [HADDOCK2.4](/education/HADDOCK24/index.md) or [HADDOCK3](/education/HADDOCK3/index.md) tutorials.
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If this is the first time you are using HADDOCK, please first familiarize
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yourself with the software by running the basic
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[HADDOCK2.4](/education/HADDOCK24/index.md) or [HADDOCK3](/education/HADDOCK3/index.md) tutorials.
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This tool is not meant to be used by end-users who want to run a single target, or a small set of targets; for that purpose we recommend instead using the [HADDOCK2.4 web server](https://wenmr.science.uu.nl/haddock2.4/).
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This tool is not meant to be used by end-users who want to run a single target,
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or a small set of targets; for that purpose we recommend instead using
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the [HADDOCK2.4 web server](https://wenmr.science.uu.nl/haddock2.4/).
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> **VERY IMPORTANT**: You need to have HADDOCK installed on your system.
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> This is not covered in this documentation.
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> Please refer to the [HADDOCK2.4 installation instructions](/software/haddock2.4/installation) or [HADDOCK3.0 repository](https://github.com/haddocking/haddock3) for more information.
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> Please refer to the
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> [HADDOCK2.4 installation instructions](/software/haddock2.4/installation)
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> or [HADDOCK3.0 repository](https://github.com/haddocking/haddock3) for more information.
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`haddock-runner` is a standalone open-source software licensed under Apache 2.0 and freely available from the following repository: [github.com/haddocking/haddock-runner](https://github.com/haddocking/haddock-runner).
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`haddock-runner` is a standalone open-source software licensed under Apache 2.0
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and freely available from the following repository: [github.com/haddocking/haddock-runner](https://github.com/haddocking/haddock-runner).
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To use it simply download the latest binary from the [releases page](https://github.com/haddocking/haddock-runner/releases):
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```bash
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$ wget https://github.com/haddocking/haddock-runner/releases/download/v1.10.0/haddock-runner_1.10.0_linux_386.tar.gz
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$ tar -zxvf haddock-runner_1.10.0_linux_386.tar.gz
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$ wget https://github.com/haddocking/haddock-runner/releases/download/v1.13.0/haddock-runner_1.13.0_linux_386.tar.gz
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$ tar -zxvf haddock-runner_1.13.0_linux_386.tar.gz
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$ ./haddock-runner -version
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haddock-runner version v1.10.0
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haddock-runner version v1.13.0
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```
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Alternatively, you can build the latest version from source (you probably don't need to do that), make sure [go](https://go.dev/doc/install) is installed and run the following commands:
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Alternatively, you can build the latest version from source (you probably don't
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need to do that), make sure [go](https://go.dev/doc/install) is installed
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and run the following commands:
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```bash
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$ git clone https://github.com/haddocking/haddock-runner.git
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$ cd haddock-runner
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$ go build -o haddock-runner
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$ ./haddock-runner -version
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haddock-runner version v1.10.0
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haddock-runner version v1.13.0
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```

docs/src/usage.md

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1. [Writing the input file list of the targets `input.list`](./writing-a-input.list-file.md)
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2. [Writing a `run-haddock.sh` script](./writing-a-run-haddock.sh-script.md)
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3. [Preparing the configuration file, `benchmark.yaml`](./writing-the-benchmark.yaml-file.md)
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3. [Preparing the configuration file, `benchmark.yaml`](./writing-a-benchmark.yaml-file.md)
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4. [Running `haddock-runner`](./running-haddock-runner.md)

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