Dear Cctbx community, thank you very much for the great library, full of wonderful algorithms. I'm writing a structure searching engine in C++ to be used as a high throughput method to do energy landscape sampling with a view to finding new ground state crystal structures. Key requirements of this project are efficiency and ease of development & deployment. Cctbx has many useful algorithms and data structures that I would like to avoid having to re-code if possible. Thus I've downloaded and played with the source as it is but have found it difficult to integrate with my project (for understandably reasons given the goals of cctbx). My main goals regarding ease of development & deployment mean that it would be very inconvenient to distribute the entire cctbx with my code. Ideally I'd like to achieve the following: * strip out everything python related (apart from maybe the build system) * strip out all modules (namespaces) that are unused by my code leaving a fairly bare-bones C++ library that is quick and easy to build. Is anyone able to comment on how feasible this might be? Is this even worth attempting? Many thanks, -Martin -- Martin Uhrin Tel: +44 207 679 3466 Department of Physics & Astronomy Fax:+44 207 679 0595 University College London [email protected] Gower St, London, WC1E 6BT, U.K. http://www.cmmp.ucl.ac.uk