1. CoMPLEX, University College London, Physics Building, Gower St., London WC1E 6BT, UK
2. Centre for Computational Science, Department of Chemistry, University College London, 20 Gordon St., London WC1H 0AJ, UK
3. Vascular Biology Laboratory, London Research Institute, Cancer Research UK, Lincoln's Inn Laboratories, 44 Lincoln's Inn Fields, London WC2A 3LY, UK
4. Research Software Development Team, Research Computing and Facilitating Services, University College London, Podium Building—1st Floor, Gower St., London WC1E 6BT, UK
5. Institute for Materials and Processes, School of Engineering, University of Edinburgh, King's Buildings, Mayfield Road, Edinburgh EH9 3JL, UK
6. Instituto de Medicina Molecular, Faculdade de Medicina, Universidade de Lisboa, Lisboa 1649-028, Portugal