st-speckmol 0.0.3

Streamlit Component for creating Spec molecular structures within Streamlit Web app.

Installation

pip install st-speckmol==0.0.3

Usage

from st_speckmol import spec_plot

Example

import streamlit as st
import glob
from st_speckmol import spec_plot

# Example files path
ex_files = glob.glob("examples/*.xyz")
with st.sidebar:
    example_xyz = st.selectbox("Select a molecule",ex_files)
    f = open(example_xyz,"r")
    example_xyz = f.read()

res = spec_plot(example_xyz)

Package Link