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
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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.
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Navdeep Sidhu
University of Goettingen
Germany
Homepage: http://shelx.uni-ac.gwdg.de/~nsidhu
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