James Whittle wrote:

Is it already possible, or would there be an easy way for me to write a function that would allow me to mutate an individual residue modeled as alanine to the correct amino acid. I've been using the mutate range for contiguous blocks, but it's often useful to be able to change just one, and it would be better if I could do it automatically.


For simple mutation:

(mutate imol chain-id residue-number ins-code residue-type)

For mutation then fitting to map:

(mutate-and-auto-fit residue-number chain-id mol mol-for-map residue-type)

where residue-type is a 3-letter code, e.g. "ASP"

Paul.

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