On 01/05/17 15:54, Stephen P. Molnar wrote:
> Unfortunately, I'm still missing something. Here is my latest attempt
> to incorporate your solution:
> name = input("Enter Molecule ID: ")
> name = str(name)
you don't need the str() since input() always returns whatever string
the user enters.
> name
How, embarrassing, I forgot to CC the list! :-)
On 30/04/17 11:09, Stephen P. Molnar wrote:
> I would have managed to extract input data from another calculation (not
> a Python program) into the following text file.
>
> LOEWDIN ATOMIC CHARGES
> --
> 0 C : -0.78063
