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
Hi Antony,
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
Hi Pavel,
Sorry… the current ‘triumvirate’ is, in no particular order:
CCP4, Phenix and Buster (Global Phasing).
Any suggestions would indeed be useful.
Many thanks,
Antony.
- - - - - - - - - - - - - - - - - -
Dr Antony W Oliver
Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Dam
Hi Antony,
(Sorry for replying with Phenix specific suggestions in non-Phenix forum.
Since the whole conversation started here and seems to move on I thought
it's best to keep it here rather than move off-list or to a more tailored
list. Also several people expressed the interest asking directly.)
Dear Antony,
Have you considered MAIN - www-bmb.ijs.si ?
best regards,
dusan
On Jun 19, 2014, at 1:06 AM, CCP4BB automatic digest system
wrote:
> There are 6 messages totaling 843 lines in this issue.
>
> Topics of the day:
>
> 1. Rotamer Selection in Low Resolution Data (4)
> 2. Refinemen
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
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 go
