LOOS 4.1.0
The Lightweight Object Oriented Structural analysis library/toolkit
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Variables | |
filename = sys.argv[1] | |
system = loos.createSystem(filename) | |
pdb = loos.PDB_fromAtomicGroup(system) | |
z_axis = loos.GCoord(0,0,1) | |
flip_chirality is a largely pointless tool -- it reads in a structure, reverses the sign of the x coordinate, and prints it as a PDB to stdout.