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
> ---
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