app.py

import gradio as gr
import cg2all
import os

def runner(in_pdb, model_type):
    out_fn = in_pdb.name[:-4] + "-all.pdb"
    ckpt_fn = f"model/{model_type}.ckpt"
    cg2all.convert_cg2all(in_pdb.name, out_fn, model_type=model_type, ckpt_fn=ckpt_fn)
    return out_fn
    
demo = gr.Interface(fn=runner, 
                    inputs=["file", \
                            gr.Radio(["CalphaBasedModel", "ResidueBasedModel", "CalphaCMModel", "BackboneModel",
                            "MainchainModel", "Martini", "PRIMO"])], 
                    outputs=["file"], 
                    examples=[["inputs/1ab1_A.calpha.pdb", "CalphaBasedModel"],
                              ["inputs/1ab1_A.residue.pdb", "ResidueBasedModel"],
                              ["inputs/1ab1_A.cacm.pdb", "CalphaCMModel"],
                              ["inputs/1ab1_A.bb.pdb", "BackboneModel"],
                              ["inputs/1ab1_A.mc.pdb", "MainchainModel"],
                              ["inputs/1ab1_A.martini.pdb", "Martini"],
                              ["inputs/1ab1_A.primo.pdb", "PRIMO"],
                              ])
demo.launch()