stevetsa / mmtf-docker

A Docker Image containing Macromolecular Transmission Format (MMTF)

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This repo is modified from the Jupyter Notebok Stacks base-notebook.

What is MMTF?

The Macromolecular Transmission Format (MMTF) is a new compact binary format to transmit and store biomolecular structures for fast 3D visualization and analysis.

MMTF Addition

This Docker image contains tools needed to run MMTF (Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.)

Originally created as part of the 2018 UCSD Structural Bioinformatics Hackathon - https://github.com/sbl-sdsc/mmtf-workshop-2018

Methods for mapping genomic data onto 3D protein structure.
Methods for mapping proteomics data on 3D protein structure.

Using the mmtf-docker Docker image

Install Docker for your operating systems

Instructions provided by Docker.

Run Docker image from a directory containing your Jupyter Notebook

git clone https://github.com/sbl-sdsc/mmtf-genomics.git
docker run -it --rm -v `pwd`:/home/jovyan/work -p 8888:8888 stevetsa/mmtf-docker

Run Docker image from AWS

Alternatively, you can also run this Docker image from commercial cloud service providers.

From a local machine, connect to an AWS instance.

### Replace ubuntu@ec2-00-00-000-00.compute-1.amazonaws.com with your AWS Public DNS
ssh -i "/path/to/sshkey.pem" -L 8888:0.0.0.0:8888 ubuntu@ec2-00-00-000-00.compute-1.amazonaws.com

From AWS (ubuntu) instance, install docker and run -

### install Docker if needed
sudo apt-get update
sudo apt-get install -y docker.io


### run Docker image from a directory containing your Jupyter Notebook
git clone https://github.com/sbl-sdsc/mmtf-workshop-2018.git
git clone https://github.com/sbl-sdsc/mmtf-genomics.git
docker run -it --rm -v `pwd`:/home/jovyan/work -w `pwd` -p 8888:8888 stevetsa/mmtf-docker

Point browser to http://localhost:8888/?token=abc........ (Last line of output from the previous command)

End of Addition

Base Jupyter Notebook Stack

Please visit the documentation site for help using and contributing to this image and others.

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A Docker Image containing Macromolecular Transmission Format (MMTF)


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