Hi Ethan,
Do you know of any published or unpublished results that compare > the R factors achieved by Babinet treatment with those obtained from the > state-of-the-art mask models? > I afraid I don't know about published ones, and I see Sacha replied for unpublished one. I could spend a few hours to add an option to do the Babinet-based bulk solvent model in PHENIX and then make a comprehensive set of self-consistent tests (within one framework), but given that the mask-based model is obviously better I wouldn't waste my time on such tests, sorry. This amount of time can be much better spent on improving mask-based model (so it doesn't leave occasional negative footprints in hydrophobic cores (where there is no solvent)). All the best! Pavel.
