Acknowledgements and citation ============================= * This software was developed in the group of `Professor Tom Blundell, Department of Biochemistry, University of Cambridge `_ and under his supervision. * The work was funded by `UCB Pharma `_. * Please cite the following paper (to be published).Please cite `this paper `_ if you use this software in your work: William R Pitt, Rinaldo W Montalvão and Tom L Blundell, BMC Bioinformatics, 2014, 15:324