LOOS 4.1.0
The Lightweight Object Oriented Structural analysis library/toolkit
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Classes | |
class | FullHelp |
Functions | |
fullhelp () | |
Variables | |
parser = argparse.ArgumentParser(description="Add segids to system file") | |
help | |
nargs | |
action | |
default | |
args = parser.parse_args() | |
system = loos.createSystem(args.system_file) | |
all_selections = loos.AtomicGroup() | |
selection = loos.selectAtoms(system, sel) | |
seg = seg[:4] | |
remaining_atoms = system.clone() | |
pdb = loos.PDB.fromAtomicGroup(system) | |
Given a system file, write a new PDB file with the segid field written in