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| def load_1gnh_structure(pdb_path=None): | ||
| # This function is provided only to test struct_to_aaseq. | ||
| def _load_1gnh_structure(pdb_path=None): |
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Function kept as it is used for testing struct_to_aaseq
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I might not be in loop with this one, but Could you confirm we are removing this becuase it's no longer needed because of Moleculeloader but the loader currently doesn't have the struct_to_aaseq function? So we need this to test it?
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seems a bit counterintutive, I might not be part of the design discussion or might have simply forgot, but can we use moleculeloader to simply do that and either get rid of this structure way entirely, or keep the structure way, as is , for all the molecules if it is needed?
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Just to clarify we are also adding a new pdb |
It stacks on the
No, from the PR description: "Now that we are using MoleculeLoader as our default in-memory format, we can remove the Structure loader for all packaged pdbs." It is just clean up nothing else. |
My bad, I read the wrong name and assume it was other pdb, I just reviewed #198 |
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@siddharth7113 do you remember what we concluded from that discussion? |
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Yeah, there was some confusion regarding retaining some function, but it was ultimately being used in a test , everything else looks good to me |
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stacks on #198
fixes #208
Now that we are using
MoleculeLoaderas our default in-memory format, we can remove theStructureloader for all packaged pdbs. We are not completely removingStructuresupport, though, as we still have functions inutilsto convert from pdb to struct and struct to aaseq.