PS: Just to clarify, my conclusion as to the usefulness of the program is based on results obtained in a shared research project. I did not directly use the program myself. Cheers, Navdeep
On Thu, Jun 19, 2014 at 10:47:17PM +0200, Navdeep Sidhu wrote: > 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 > ---
