On 12/6/16 3:54 PM, Markus Heller wrote: > I have a structure (A) which is missing a stretch of a dozen or so > residues. I also have the structure of the protein from a different > organism which has said stretch of residues resolved (B). Now I'd > like to take the coordinates of A and model the missing residues > using the relevant coordinates (i.e. for these residues only) from > B. > > How would I go about doing this?
Just make an alignment containing both proteins A and B, and align the missing region with B and the rest with A, as per https://salilab.org/modeller/FAQ.html#1
If you're happy with the A coordinates and don't want them to move at all, select only the B region in select_atoms(): https://salilab.org/modeller/9.17/manual/node23.html
Ben Webb, Modeller Caretaker