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If your data are to high enough resolution, Shelx will allow you to
refine alternate conformations with atoms missing from 1 or more of the
conformers.
Depending on the nature of your modification, I believe this could also
be done in CNS by treating the modification as ligand. I think you can
trick CNS into allowing the close contacts between the "ligand" and the
native residue, but I'm not sure how that is done.
Best wishes,
Kevin
Daniel Lee wrote:
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Hello:
We have an alternative confirmation in certain residues, while one
confirmation has a modified residue, and the other does not.
The refinement programs we use seem to only accept alternative
confirmations having identical names, which only go along with identical
atom compositions.
I wonder is there a good way to go around this, or any program that offers
this alternative sidechain in alternative confirmation option?
Thank you very much.
Daniel Lee
Ph.D. Student
Queen's University, Kingston, Ontario, Canada
