The 2010 Rosetta Developers Meeting: Macromolecular Prediction and Design Meets Reproducible Publishing

The Rosetta framework for macromolecular modeling, prediction and design is a widely used code (over 7,000 registered groups) with a large, dynamic developers community (over 200 members). The Rosetta community, including Rosetta developers and users from industry and academia, meets once a year to discuss the science being done to improve Rosetta, new applications of the Rosetta code to biological and chemical problems, and the code development itself. This special collection (RosettaCon 2010) presents a selection of developments in the Rosetta community drawn from RosettaCon 2010. However, this collection is more than a proceedings: this special collection will focus on the publication of both the science and the reproducible computational workflow associated with each invited paper's protocol. Each paper in this collection is accompanied by an annotated archive containing the code, scripts and data-sets needed to carry out the computational protocol described in the paper. Example use-cases that directly correspond to each paper are also provided. We call these workflow archives ''protocol captures''. By publishing complete protocols and workflows we hope to both publish state-of-the art computational structural biology methods and provide an example of how a federated computational collaborative can reproducibly publish and disseminate science based on complex multi-layered protocols.