QuantumATK Forum

General => Future Releases => Topic started by: Dipankar Saha on July 29, 2015, 09:26

Title: obabel.exe
Post by: Dipankar Saha on July 29, 2015, 09:26

Besides, I find a new executable.... "obabel" inside the VNL-ATK-2015.b1/bin.......
What is this actually??  :)

Regards_
Dipankar

Title: Re: obabel.exe
Post by: Anders Blom on July 29, 2015, 10:32

Ok, first of all, we can't really comment on every file that is part of the package. There are 16,000 files in the whole installation dir...

But this one: in 2015 there is support for importing files using OpenBabel, and this binary is OpenBabel. So now you can import PDB files etc to the LabFloor (just check them in the file list) and also into the Builder.

Title: Re: obabel.exe
Post by: Dipankar Saha on July 29, 2015, 11:32

Dr. Anders Blom,

Thanks for your reply....  :)