normcyr / new-pdb-inspector

Search for new PDB structures corresponding to a search term and deposited after a certain date.

New PDB Depositons Inspector

Searches the PDB for new depositions.

Usage

Requirements

Python 3

and the following packages (all found in requirement.txt):

• beautifulsoup4==4.6.0
• cycler==0.10.0
• matplotlib==2.0.2
• numpy==1.13.1
• pyparsing==2.2.0
• pypdb==1.103
• python-dateutil==2.6.1
• pytz==2017.2
• six==1.10.0
• xmltodict==0.11.0

Notes to self

Step 1 - Get the data

• fetch the new structures information
• parse the data to json format
• download the pdb file
• make sure everything is well organized

Step 2 - Output the data

• get the data in json format
• print as table in webpage

Step 3 - Notify user

• weekly, send an email to user to notify of new depositions