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Update README.md
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lszeremeta authored Apr 16, 2021
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Expand Up @@ -44,51 +44,7 @@ docker run -it --rm --name molstruct-app --mount type=bind,source="$(pwd)",targe

## Other options

You may want to run Molstruct from sources or build a Docker image yourself. In most cases, one of the methods mentioned in the sections above should be sufficient and convenient for you.

### Run Molstruct from sources

1. Clone this repository:

```shell
git clone https://github.com/lszeremeta/molstruct.git
```

If you don't want or can't use git, you can [download the zip archive](https://github.com/lszeremeta/molstruct/archive/master.zip) and extract it.

2. Go to the project directory and run Molstruct:

```shell
cd molstruct
python -m molstruct
```

### Local Docker build

You need [Docker](https://docs.docker.com/engine/install/) installed.

1. Clone this repository:

```shell
git clone https://github.com/lszeremeta/molstruct.git
```

If you don't want or can't use git, you can [download the zip archive](https://github.com/lszeremeta/molstruct/archive/master.zip) and extract it.

2. Go to the project directory and build a Docker image:

```shell
cd molstruct
docker build -t molstruct .
```

3. Run Docker container:

```shell
docker run -it --rm --name molstruct-app --mount type=bind,source=/home/user/input,target=/app/input,readonly molstruct
```

In this case, your local directory `/home/user/input` has been mounted under `/app/input`.
You may want to [run Molstruct from sources or build a Docker image yourself](https://github.com/lszeremeta/molstruct/wiki/Run-from-sources-and-manual-Docker-build). In most cases, one of the methods mentioned in the sections above should be sufficient and convenient for you.

## Usage

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