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Merge pull request #435 from haddocking/beta_readme
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Update README file for Beta version
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joaomcteixeira authored May 25, 2022
2 parents e39340e + 4890463 commit 088e998
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43 changes: 32 additions & 11 deletions README.md
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# WARNING: The `main` branch is not production-ready
Welcome to the HADDOCK3-Beta version

The `main` branch is a prototype of newly refined architecture and it
does not yet contain the functionalities we have reported previously.
For a running version of HADDOCK3 please refer to the `alpha1` or the
release page. However, we won't develop `alpha1` further. Stay tuned for
new updates on the `main` branch as we are actively working on it.
Cheers!
The `main` branch represents the latest state of HADDOCK v3. Currently,
stable beta version.

* * *

# HADDOCK3

## 1. Installation

To install HADDOCK3 follow the instructions in the [INSTALL](docs/INSTALL.md) file.
To install HADDOCK3 follow the instructions in the [INSTALL](docs/INSTALL.md)
file.

## 2. Documentation

HADDOCK3-beta documentation is not yet hosted online. You need to generate it
locally. First, install HADDOCK3 and activate the `haddock3` python environment
as explained in the [installation instructions](docs/INSTALL.md). Then, in your
terminal window, run:

```bash
tox -e docs
```

*Ignore any warning messages.* After, use your favorite browser to open the file
`haddock3-docs/index.html`. This will open a local webpage with the complete
HADDOCK3 documentation. Navigate around, enjoy, and contribute.

## 2. Examples

### 2.1. Basic scoring of an ensemble of 5 structures:

In the `examples/` folder you find several examples for you to test and
learn HADDOCK3. Additional information is in the documentation pages.

```bash
cd examples/recipes/scoring/
haddock3 scoring.toml
cd examples/scoring/
haddock3 emscoring-test.cfg
```

## 3. Contribute
Expand All @@ -31,6 +46,12 @@ If you want to contribute to HADDOCK3's development, read the

## 4. Keep in contact and support us

HADDOCK3 is an academic project supported by various grants, including the EU BioExcel Center of Excellence for Computational Biomolecular Research. HADDOCK3 is fully open-source and free to download. If you clone this repository and use HADDOCK3 for your research, please support us by signing [this Goole form][googleform] if you have not yet done so. This will allow us contact you when needed for HADDOCK3-related issues, and also provide us a mean to demonstrate impact when reporting for grants.
HADDOCK3 is an academic project supported by various grants, including the EU
BioExcel Center of Excellence for Computational Biomolecular Research. HADDOCK3
is fully open-source and free to download. If you clone this repository and use
HADDOCK3 for your research, please support us by signing [this Google
form][googleform] if you have not yet done so. This will allow us contact you
when needed for HADDOCK3-related issues, and also provide us a mean to
demonstrate impact when reporting for grants.

[googleform]: https://docs.google.com/forms/d/e/1FAIpQLScDcd0rWtuzJ_4nftkDAHoLVwr1IAVwNJGhbaZdTYZ4vWu25w/viewform
4 changes: 2 additions & 2 deletions tox.ini
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Expand Up @@ -103,8 +103,8 @@ usedevelop = true
deps =
-r{toxinidir}/devtools/docs-requirements.txt
commands =
sphinx-build {posargs:-E} -b html docs dist/docs
#sphinx-build -b linkcheck docs dist/docs
sphinx-build {posargs:-E} -b html docs haddock3-docs
#sphinx-build -b linkcheck docs haddock3-docs

# code quality assessment. This is not a check in the CI, serves just
# as info for the developer
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