SweetSeek

Structure-based detection of sugar-binding proteins

Table of Contents

1. Overview
2. Repository Structure

Overview

This project provides an automated bioinformatics workflow to identify candidate sugar-binding proteins using structural data. The workflow consists of two main stages: Data Pre-processing and Surrounding Analysis. The workflow steps are shown in this flowchart:

The project is split into two main parts:

• the workflow
• web application for interactively displaying workflow results

Each part is in its respective subdirectory. To read more about each part, view their respective readmes (workflow, web app frontend, web app backend).

It is possible to run the workflow locally or on MetaCentrum infrastructure. All parts of the project can be deployed/ran as docker containers.

Repository Structure

SweetSeek/
│
├── workflow/
│ ├── pipeline_handlers/
│ ├── results/ (submodule)
│ ├── scripts/
│ ├── src/
│ │ ├── process_handlers/
│ │ ├── utils/
│ │ ├── config.json
│ │ ├── create_merged_results.py
│ │ ├── data_preprocessing.py
│ │ └── surrounding_analysis.py
│ ├── README.md
│ ├── Dockerfile
│ ├── requirements.txt
│ └── requirements-pymol.txt
├── web/
│ ├── docker-compose.yml
│ ├── fe/
│ │ ├── README.md
│ │ └── Dockerfile
│ └── be/
│   ├── README.md
│   └── Dockerfile
├── docs/
├── .gitignore
├── .gitmodules
└── README.md