为什么这个 p.stdin.write 不起作用？

Question

Thanks, Because of the command, I was able to bypass that step, but the actual problem is this step. there is no command given in the documentation for this step. [1] I have added an example of how the menu option looks like, for this say I want to select force field number 4, so, when I do subprocess.call[path,4] it will give me an error as the path file will be called afresh and the menu options will disappear. The file is being called using this -

p = subprocess.Popen(path, stdin=subprocess.PIPE, shell = False, universal_newlines=True)

But when I try to write on the file using p.stdin.write, it does not write anything.

p.stdin.write("pdb2gmx""-f"+ pname +"-o""processed.gro""-water"+ water_model +"-ff"+ force_field)

pname, water_model, force_field are global variables. Nothing happens when I want the p.stdin.write to write this command on the path file.

Edit - I tried using subprocess.check_call() instead of p.stdin.write, but with subprocess.check_call() for every step a new process is created and the path file is called again, so the previous process gets killed and a new process starts. I don't want that.

Answer 1

If pdb2gmx is actually the name of the tool you want to call, you'll want eg

import subprocess

subprocess.call(
    [
        "pdb2gmx",
        "-f",
        pname,
        "-o",
        "processed.gro",
        "-water",
        water_model,
        "-ff",
        force_field,
    ],
    check=True,
)

instead of starting a process and writing that command line to its standard input.