import gradio as gr import cg2all import os def runner(in_pdb, model_type): out_fn = in_pdb.name[:-4] + "-all.pdb" cg2all.convert_cg2all(in_pdb.name, out_fn, model_type=model_type) return out_fn demo = gr.Interface(fn=runner, inputs=["file", gr.Radio(["CalphaBasedModel", "ResidueBasedModel", "Martini"])], outputs=["file"], examples=[["1ab1_A.calpha.pdb", "CalphaBasedModel"], ["1ab1_A.residue.pdb", "ResidueBasedModel"], ["1ab1_A.martini.pdb", "Martini"]]) demo.launch()