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- # Structures should have the molid 1 and 2 or change that line of code
- #
- # Calculate RMSD for each residue between two structures
- #
- # For VMD
- # source perresiduermsd
- # set stuff [[atomselect top "protein and alpha"] get resid]
- # rmsd_res $stuff
- #
- proc rmsd_res {res} {
- foreach r $res {
- #puts $r
- set ref [atomselect 1 "protein and resid $r and noh"]
- set comp [atomselect 2 "protein and resid $r and noh"]
- # puts "Booyah"
- set poop [measure rmsd $comp $ref]
- puts $poop
- $comp delete
- $ref delete
- }
- }
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