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Superimpose

Superimpose current pose on a pose from disk. Useful for returning to a common coordinate system after, e.g., torsion moves.

<Superimpose name="(&string)" ref_start="(1 &Integer)" ref_end="(0 &Integer)" target_start="(1 &Integer)" target_end="(0 &Integer)" ref_pose="(see below &string)" CA_only="(1 &integer)"/>
  • CA_only, Superimpose CA only or BB atoms (N,C,CA,O). Defaults True.
  • ref_start, target_start: start of segment to align. Accepts only rosetta numbering.
  • ref_end, target_end: end of segment to align. If 0, defaults to number of residues in the pose.
  • ref_pose: the file name of the reference structure to align to. Defaults to the commandline option -in:file:native, if no pose is specified.
  • Requires all PDB files to have the same chain id. On bash, the sed command can be used to quickly alter all chain IDs: $ sed -i 's/ B / A /' Changes all B chains to A chains and overwrites original PDB file. Remove -i and pipe into a new PDB file if you do not wish to overwrite.

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