CURATED COFs Upload form

This is an interactive upload form for contributing new entries to the CURATED COFs database.

The form is written using panel and uses the jsmol-bokeh-extension

The package included two interactive forms: parse_cif and cofdb_submit

Utility parse_cif

This is a general purpose utility to help in the creation of the CIF files, by copy&paste of the information as usually reported in the Supporting PDF of a synthesis paper. The CIF file gets printed in the cifs directory, using the input name of the material as filename, and keeping the original symmetry unwrapped.

Features of cofdb_submit

Papers:

• Fetch publication metadata from DOI
• Mint CURATED-COFS paper ID
• Add info to .csv

Frameworks:

• Select the file or drag it to the Choose file button
• Relabel axes to keep the 2D layers parallel to the ab plane
• Replicate 2D COFs in c direction to include 2 layers
• Render CIF using jsmol
• Prefill basic information (name, elements, 2D/3D)
• Mint CURATED-COFS framework ID
• Add info to .csv and add new CIF, with unwrapped P1 symmetry

Prerequisites

• nodejs >= 10

Installation

git clone https://github.com/ltalirz/curated-cofs-submission.git
pip install -r requirements.txt

Add path to clone of CURATED-COFs github repository and run it in your browser at http://localhost:5006/cofdb_submit.

export CURATED_COFS=/path/to/CURATED-COFs
bokeh serve cofdb_submit/ --show

Development

# enable live reloading when changing the code
panel serve  cofdb_submit/ --dev cofdb_submit/main.ipynb

Online version

Playing around with deployment of this app on heroku here