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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()
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