Skip to content

Commit

Permalink
Update docs (#24)
Browse files Browse the repository at this point in the history
* fix imports

* add manifest.in

* update docs

* Remove whiscy_protocol.sh script

* linting

* update tests
  • Loading branch information
rvhonorato committed Apr 22, 2024
1 parent 647c1dd commit 3454448
Show file tree
Hide file tree
Showing 13 changed files with 299 additions and 412 deletions.
56 changes: 56 additions & 0 deletions INSTALLATION.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,56 @@
# Install Whiscy

Below we will go into a step-by-step guide on how to install Whiscy. Instructions are provived for Ubuntu Linux, in other systems the installation process may vary.

## Third-Party

Whiscy depends on the following third-party software:

- Muscle
- FreeSASA
- HSSPCONV
- Protdist

The installation of these dependencies is described in the [THIRDPARTY.md](THIRDPARTY.md) file.

## 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
```

### Troubleshooting

If you get an error such as `ValueError: MUSCLE_BIN not found in system variables`, make sure you have followed the steps in [THIRDPARTY.md](THIRDPARTY.md) to install the third-party dependencies.
3 changes: 3 additions & 0 deletions MANIFEST.in
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
include src/whiscy/param/parasmooth.par
include src/whiscy/param/weight_ma.txt
include src/whiscy/param/ztable.txt
Loading

0 comments on commit 3454448

Please sign in to comment.