Can you provide the solution to parse pdb from the xtc file in the Spike-MD case

ml-struct-bio / CryoBench

Diverse and challenging datasets for the heterogeneity problem in cryo-EM

https://cryobench.cs.princeton.edu

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Can you provide the solution to parse pdb from the xtc file in the Spike-MD case #3

Open Qmi3 opened 4 days ago

Qmi3 commented 4 days ago

I searched in the reference paper but cannot find avaliable top file which contains the same number of atom with the xtc file. The mapping from image to conformation is also missing for the part of data. Thank you