Hi Paul,
I have some suggestions/requests for facilitating sidechain modelling.
* Option to have the rotamer tool default to the rotamer most closely
resembling the current rotamer (now it defaults to the most common rotamer)
* Option to have the rotamer tool default to the rotamer with the highest
average map value for the atoms. Atoms closer to the Ca should be weight higher
(as an option). Perhaps also have an option to allow for a small
rotation/translation.
* Show all rotamers in the rotamer library at the same time and then you
can click on the one that you want (“bouquet” mode)
* Automatically select the best rotamer in a chain/molecule considering
fit-to-density and clashes, but without touching the backbone and not doing any
refinement.
Perhaps it is already possible to do some of these things already?
Regards,
Daniel
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