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Merge pull request #89 from Arcadia-Science/kcc/sync
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[Sync] Pin arcadia-pycolor and update README
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keithchev authored Jul 15, 2024
2 parents b6dfc76 + 4faa238 commit 88160fc
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15 changes: 14 additions & 1 deletion README.md
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Expand Up @@ -19,6 +19,8 @@ Because this tool is based on global structural comparisons, note that the resul

---
## Quickstart
The ProteinCartography pipeline supports Linux and macOS operating systems; it does not work on Windows. It also requires that you have `conda` or `mamba` installed. If you have an M series Mac, you will need to install an x86-64 version of `conda`. See [below](#running-the-pipeline-on-an-m-series-mac) for some tips on how to do this.

1. Clone the GitHub repository.
```
git clone https://github.com/Arcadia-Science/ProteinCartography.git
Expand All @@ -45,9 +47,20 @@ Because this tool is based on global structural comparisons, note that the resul

---
## Compute Specifications
We have been able to successfully run the pipeline on macOS and Amazon Linux 2 machines with at least 8GB RAM and 8 cores.\
We have been able to successfully run the pipeline on macOS and Amazon Linux 2 machines with at least 8GB RAM and 8 cores.

For the data generated for our pub, we ran the pipeline on an AWS EC2 instance of type `t2.2xlarge` (32 GiB RAM + 8 vCPU).

## Running the pipeline on an M-series Mac
To run the pipeline on an M-series Mac (with arm64 architecture), you will need to install an x86-64 version of `conda`. One way to do this is to install Miniconda using the x86-64 `.pkg` installer from the [miniconda website](https://docs.anaconda.com/free/miniconda/). Your Mac should recognize that the installer is for x86-64 and automatically use Rosetta 2 to run it. Alternatively, you can run the `conda` installer script from the command line with the `arch -x86_64` command. For example:

```bash
curl -O https://repo.anaconda.com/miniconda/Miniconda3-latest-MacOSX-x86_64.sh
arch -x86_64 /usr/bin/env bash Miniconda3-latest-MacOSX-x86_64.sh
```

The x86 version of `conda` will automatically install x86-64 versions of all packages. If you have already installed `conda` on your M-series Mac, be careful to install the x86 version in a different location. To check that you are using the correct version of `conda`, you can run `conda info` and look for the `platform` field in the output. It should say `osx-64`.

---
## Modes
The pipeline supports two modes: **Search** and **Cluster**. Both modes are implemented in the same [`Snakefile`](Snakefile). The mode in which the pipeline runs is controlled by the `mode` parameter in the [`config.yml`](config.yml) file.
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2 changes: 1 addition & 1 deletion envs/cartography_dev.yml
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Expand Up @@ -34,4 +34,4 @@ dependencies:
- wordcloud=1.9.2

- pip:
- "git+https://github.com/Arcadia-Science/arcadia-pycolor.git#egg=arcadia_pycolor"
- "git+https://github.com/Arcadia-Science/arcadia-pycolor.git@245ad0c#egg=arcadia_pycolor"
2 changes: 1 addition & 1 deletion envs/cartography_tidy.yml
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Expand Up @@ -12,5 +12,5 @@ dependencies:
- mamba=1.4.2
- pip=23.2.1
- pip:
- "git+https://github.com/Arcadia-Science/arcadia-pycolor.git#egg=arcadia_pycolor"
- "git+https://github.com/Arcadia-Science/arcadia-pycolor.git@245ad0c#egg=arcadia_pycolor"
- bioservices==1.11.2
2 changes: 1 addition & 1 deletion envs/plotting.yml
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Expand Up @@ -14,4 +14,4 @@ dependencies:
- scipy=1.11.4
- pip=23.2.1
- pip:
- "git+https://github.com/Arcadia-Science/arcadia-pycolor.git#egg=arcadia_pycolor"
- "git+https://github.com/Arcadia-Science/arcadia-pycolor.git@245ad0c#egg=arcadia_pycolor"

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