Dear Eleanor,

Eleanor Dodson wrote:
When converting from CA to Main chain it would be wonderful to just have to select a CHAIN - not click on the first and last residues.. In that I cant think of any time when you would want to only convert a limited span of residues..

On reflection, I agree with you and will schedule this for implementation.


It is part of a larger request to allow many functions to be specified by residue identifier, rather than clicking

eg real space refine from /A/10 to /A/17
    set occupancy to 0.0 for /A/10 to /A/17

These function are described (to varying degrees) in the manual.

(db-mainchain imol chain-id resno-start resno-end direction)

(refine-residues imol residue-list)

(refine-zone imol chain-id resno-start resno-end alt-conf)

(zero-occupancy-residue-range imol chain-id resno-start resno-end)

(fill-occupancy-residue-range imol chain-id resno-start resno-end)

Paul.

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