Open Babel is a great tool to analyze and investigate molecular data (.MOL, .SDF files). Its Python API is particularly very nice if you are familiar with Python already. In this post, I’ll demonstrate how you can obtain molecule description such as molecular weight, HBA, HBD, logP, formula, number of chiral centers using PyBel.
Start a new cluster with the configuration file you modified:
Here is a small command for uploading files to AWS through SSH’s command
scp (secure copy).
Run following command to give www-data permissions to static folder and all its content:
Install MySQL server and python-mysqldb package:
Go to EC2 management console, Security groups and add a Custom TCP inbound rule with port 8000. Select “Anywhere” from the list.
Update and upgrade packages:
Go to EC2 management console