A web based application to view 2D structures in a table
Project description
Chemviewer
Chemviewer is a web based application to view 2D chemical structures or reactions in a table. The local version supports both text input and file selection (from local directory).
How to use locally
Start the application
Type in chemviewer in the work directory or type chemviewer table.txt
to browse the table.txt. The input file should have title line and
there should be one column of which the title is "smi", "smiles", or
"cannonical_smiles" (case insensitive).
How to install
pip install chemviewer
If you do not have a Python environment including RDKit and Flask, you can download anaconda and install them as the following:
wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
bash Miniconda3-latest-Linux-x86_64.sh
Then install the dependencies:
conda create -n chemviewer -c conda-forge rdkit
conda activate chemviewer
conda install flask
Dependency
- RDKit
- Flask
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