Our latest papers on the FragBuilder Python library is out as preprint from PeerJ, while it is undergoing peer-review.

PeerJ is in my opinion awesome for this type of publications, demonstating the use of a Python library, since they even allow examples and code-bits in the paper.

You can see the preprint here: https://peerj.com/preprints/169v2/

We even got DOI and can be cited as:

Christensen AS, Hamelryck T, Jensen JH. (2013) FragBuilder: An efficient Python library to setup quantum chemistry calculations on peptides models. PeerJ PrePrints 1:e169v2 http://dx.doi.org/10.7287/peerj.preprints.169v2

The FragBuilder Python library can be found at GitHub: https://github.com/jensengroup/fragbuilder

I am in the process of making a couple of more blog-posts to demonstrate the use of FragBuilder, stay tuned!