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Are these not all coords? #57

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patrickbryant1 opened this issue Jul 11, 2024 · 1 comment
Open

Are these not all coords? #57

patrickbryant1 opened this issue Jul 11, 2024 · 1 comment
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@patrickbryant1
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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

@khb7840
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khb7840 commented Oct 15, 2024

  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 khb7840 added invalid This doesn't seem right question Further information is requested labels Oct 15, 2024
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