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update install instructions
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rvhonorato committed Apr 22, 2024
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60 changes: 25 additions & 35 deletions INSTALLATION.md
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Expand Up @@ -15,41 +15,31 @@ The installation of these dependencies is described in the [THIRDPARTY.md](THIRD

## Whiscy

To install Whiscy, follow these steps:

- Clone the repository:

```bash
git clone https://github.com/haddocking/whiscy && cd whiscy
```

- Install the scripts

Make sure you are using an environment with Python3.11+

```bash
pip install .
```

- Check the installation

```text
$ whiscy -h
usage: whiscy [-h] [-o output_file] [--version]
surface_list conversion_table alignment_file distance_file
positional arguments:
surface_list Surface list
conversion_table Conversion table
alignment_file Alignment file
distance_file Distance file
options:
-h, --help show this help message and exit
-o output_file, --output output_file
If set, output prediction to this file
--version show program's version number and exit
```
It can be easily installed from `pip`

```bash
pip install whiscy
```

Check the installation

```text
$ whiscy -h
usage: whiscy [-h] [-o output_file] [--version]
surface_list conversion_table alignment_file distance_file
positional arguments:
surface_list Surface list
conversion_table Conversion table
alignment_file Alignment file
distance_file Distance file
options:
-h, --help show this help message and exit
-o output_file, --output output_file
If set, output prediction to this file
--version show program's version number and exit
```

### Troubleshooting

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2 changes: 1 addition & 1 deletion USAGE.md
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# Using WHISCY

After it has been installed according to the instructions in the [INSTALL.md](INSTALL.md) file, you can use WHISCY to predict the binding site of a protein.
After it has been installed according to the instructions in the [INSTALLATION.md](INSTALLATION.md) file, you can use WHISCY to predict the binding site of a protein.

## Example

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