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#Welcome to the Rosetta-Protein-Folding-Project wiki!

• It is assumed that you have set up an AWS account. If not you can create one here. It is also highly recommended you set up an IAM account and not run everything from your root account (the account that you originally created in AWS console). IAM accounts can be set up by following the instructions here. Ensure that you add all the permissions listed under IAM Permissions List in the Appendix page.

• Create Access Keys for the IAM profiles you created by following the steps here. Follow instructions from this page and download and store the credential file in a safe place. Make sure the credential file has Access Key ID and Secret Access Key for the IAM profile you created in the previous step.

• By default, users are limited to 20 EC2s at any given time. Since protein folding simulation requires a large fleet (~500EC2s), you might have to contact Amazon for limit increase. This can by following instructions to increase limits here. Ensure that you request increase of both on-demand as well as spot instance limits in N.Virginia region. We will predominantly be using C4 type instances so requesting the above mentioned limit instances for the C4 family would suffice. You will also have to increase EBS Limits. You can increase Provisioned IOPS to 100,000 and General Purpose (SSD) volume storage limits to 100TB.

• It is assumed that you have a valid license for Rosetta software. If not, you can obtain one from the Rosetta Software website.

• Steps that we will be following in this wiki:

  • Set up VPC
  • Start an EC2 instance and build Rosetta if needed on it
  • Install Docker and set up EC2 container docker images
  • Start a sample Batch Job