get_xyz_from_file

Synopsys: get_xyz_from_file(file_name)

This command extract the x,y and z coordinates from the file specified in the function argument in the xyz format

As input requires the string “file_name”

As output, it return 3 numpy arrays.

Coordinates are expressed in Angstrom

Example

[x,y,z]=get_xyz_from_file(“input_file”);

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