https://github.com/normcyr/new-pdb-inspector
Search for new PDB structures corresponding to a search term and deposited after a certain date.
https://github.com/normcyr/new-pdb-inspector
biochemistry biology nmr-spectroscopy pdb pdb-files protein-structure xray-crystallography
Last synced: 2 months ago
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Search for new PDB structures corresponding to a search term and deposited after a certain date.
- Host: GitHub
- URL: https://github.com/normcyr/new-pdb-inspector
- Owner: normcyr
- License: gpl-3.0
- Created: 2017-08-01T21:56:09.000Z (almost 8 years ago)
- Default Branch: master
- Last Pushed: 2017-08-02T16:56:22.000Z (almost 8 years ago)
- Last Synced: 2025-02-14T23:38:48.822Z (4 months ago)
- Topics: biochemistry, biology, nmr-spectroscopy, pdb, pdb-files, protein-structure, xray-crystallography
- Language: Python
- Homepage:
- Size: 19.5 KB
- Stars: 1
- Watchers: 2
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# 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