import gradio as gr
def get_pdb(pdb_code="", filepath=""):
if pdb_code is None or pdb_code == "":
try:
return filepath.name
except AttributeError as e:
return None
else:
os.system(f"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb")
return f"{pdb_code}.pdb"
def read_mol(molpath):
with open(molpath, "r") as fp:
lines = fp.readlines()
mol = ""
for l in lines:
mol += l
return mol
def molecule(input_pdb):
mol = read_mol(input_pdb)
x = (
"""
"""
)
return f""""""
def update(inp, file):
pdb_path = get_pdb(inp, file)
return molecule(pdb_path)
demo = gr.Blocks()
with demo:
gr.Markdown("#PDB viewer using 3Dmol.js")
inp = gr.Textbox(placeholder="PDB Code or upload file below", label="Input structure")
file = gr.File(file_count="single")
btn = gr.Button("View structure")
mol = gr.HTML()
btn.click(fn=update,inputs=[inp, file],outputs=mol]
demo.launch()