[COOT] Fit protein suggestion/query

[Oliver Clarke]

Hi,

I like the fit protein script - at low resolution, initial rounds of  
fitting and refinement often result in my leucines/isoleucines having  
fairly implausible rotamers, and fit protein is a great way of quickly  
fixing up the worst of these.

However, it doesn't seem to deal so well with residue types where  
there are many almost equally probably rotamers (eg lys, arg), and in  
poor density these often end up with sidechains lodged firmly in  
density that belongs to the neighbouring strand of a beta sheet, for  
example.

Is there any way to script a function that will allow rotamer-fitting  
of specific residue types (eg all except lys, arg and maybe glu and  
gln)?

Cheers,
Oliver Clarke