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Are these not all coords?

Open patrickbryant1 opened this issue 1 year ago • 1 comments

Hi,

Thanks for the great resource!

I noticed that it says that "data_dict["coordinates"] # coordinates of the backbone as list", but I find that this list contains all atomic coordinates.

  1. Is there a way to get only the backbone?
  2. Do you have code to build all atomic coordinates from backbone atoms+angles somewhere?

Best,

Patrick

patrickbryant1 avatar Jul 11 '24 11:07 patrickbryant1

  1. I'm sorry for the misleading documentation. I'll fix the documentation and add the backbones in the data_dict as well.
  2. Currently, reconstruction of side chain atoms is at sidechain.cpp not in python API.

khb7840 avatar Oct 15 '24 03:10 khb7840