I am very new to python. I have an xyz file that has the coordinates of all atoms in my system. my system consists of a few different molecules made from these atoms. I need to count the number of different molecules in this system, for eaxmple, the total number of molecule A, the total number of Molecule B, etc. I have included a snapshot of the file. The orange, yellow, and blue are the different molecules- similar to the orange section ( the PBIIII molecule) I also have a few that are PBIII. How can count the different molecules for each type from an xyz file?enter image description here
counting number of different molecules from an xyz file
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