Add modules to the code
Similar to #7. The code should be refactored to add modules and separate functions.
We can add a module for tools (RMSD, select_atom, etc...), for parser, for writer, etc.
Similar to #7. The code should be refactored to add modules and separate functions.
We can add a module for tools (RMSD, select_atom, etc...), for parser, for writer, etc.