LJCluster.load_coords_pymol(coordslist, oname, index=1)[source]

load the coords into pymol

the new object must be named oname so we can manipulate it later

Parameters :

coordslist : list of arrays

oname : str

the new pymol object must be named oname so it can be manipulated later

index : int

we can have more than one molecule on the screen at one time. index tells which one to draw. They are viewed at the same time, so should be visually distinct, e.g. different colors. accepted values are 1 or 2


the implementation here is a bit hacky. we create a temporary xyz file from coords and load the molecule in pymol from this file.

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