Re: [Avogadro-Discuss] How to use Avogadro from terminal?

2016-06-28 Thread Geoffrey Hutchison
> You would be able to write a python script and use subprocess to run this > command multiple times. Well, I’d suggest using the Python interface (Pybel): http://openbabel.org/docs/current/UseTheLibrary/Python.html In either case, Patrick is correct - I’d ask the question on the Open Babel lis

Re: [Avogadro-Discuss] How to use Avogadro from terminal?

2016-06-28 Thread Patrick Avery
Hi there Ana, If you just need a file translator, you might want to consider using Open Babel directly: http://openbabel.org/wiki/Main_Page Avogadro uses Open Babel for a lot of its file translations. After you compile/install open Babel and get the executables, you just need to run something lik

[Avogadro-Discuss] How to use Avogadro from terminal?

2016-06-28 Thread Anastasya Karchevskaya
I wish I could use Avogadro from the terminal, either Windows or Linux. I don’t need GUI and actually need to use Avogadro as a file translator for 100K files (approximately), avogadro reads my file properly and is able to save it as smiles (as the test has shown), but I need somewhat like: fo