ProteinMotion
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Structure morphs

proteinmotion.conformations

Match two experimental structures of one protein, morph between them, and measure domain motions.

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Classes

NameDescription
StructureMorphclassMorph between two experimental structures of the same protein, moving residues along screw paths.
StructureMatchclassAtom correspondence between two structures, with the residue and chain pairs behind it and the rigid core they share.
DomainMotionclassRigid motion of a domain between two structures, as a screw in the source's model frame.

Functions

NameDescription
match_structures()functionPair chains, residues, ligands, and atoms of two structures of the same protein.
domain_motion()functionHow a domain turns and shifts between two structures, after superposing on a fixed part.
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