Dear Antony, In addition to other good suggestions, you might also like to check out the following:
Krivov GG, Shapovalov MV and Dunbrack RL Jr. Improved prediction of protein side-chain conformations with SCWRL4. Proteins. 2009 Dec;77(4):778-95. doi: 10.1002/prot.22488. https://www.ncbi.nlm.nih.gov/pubmed/19603484 I found it very useful in one difficult case (2.0 A data but very poor MR search model)--not entirely similar to the issue you are dealing with but relevant nonetheless, I think. Best regards, Navdeep --- On Wed, Jun 18, 2014 at 03:39:02PM +0000, Antony Oliver wrote: > Dear Crystallographic Community, > > Apologies for the cross-posting, but I *do* routinely use programs from all > three software packages. > > I find myself refining a relatively low resolution structure (3.5 Angstrom) - > with 8 molecules in the asymmetric unit. > Is there a *simple* automated way to place “optimal-fit to electron density" > side-chain rotamers into my model? > Preferably in an NCS-independant manner? > > With thanks, > Antony. --- Navdeep Sidhu University of Goettingen Germany Homepage: http://shelx.uni-ac.gwdg.de/~nsidhu ---
