On 16/02/2024 01:45, zx2...@connect.hku.hk wrote:
Dear all,
Hello Xin,

I encountered an issue while attempting to calculate the RMSD between two PDB files (each containing 4 ASUs)

do they really though?


using the SSM Superpose tool in Coot. Unfortunately, the tool was unable to superpose all ASUs accurately.


That's because you have mismatched bundles. It seem to me that you need some "Symm Shift Reference Chain Here" action.


Paul.


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