rcsb-embedding-model 0.0.9__py3-none-any.whl → 0.0.10__py3-none-any.whl

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Files changed (6) hide show
  1. rcsb_embedding_model/utils/structure_parser.py +3 -2
  2. {rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/METADATA +2 -2
  3. {rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/RECORD +6 -6
  4. {rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/WHEEL +0 -0
  5. {rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/entry_points.txt +0 -0
  6. {rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/licenses/LICENSE.md +0 -0
rcsb_embedding_model/utils/structure_parser.py CHANGED
@@ -1,4 +1,4 @@
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- from biotite.structure import filter_amino_acids, chain_iter, get_chains, get_residues, AtomArray
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+ from biotite.structure import filter_amino_acids, filter_polymer, chain_iter, get_chains, get_residues, AtomArray
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  from biotite.structure.io.pdb import PDBFile, get_structure as get_pdb_structure, get_assembly as get_pdb_assembly, list_assemblies as list_pdb_assemblies
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  from biotite.structure.io.pdbx import CIFFile, get_structure, get_assembly, BinaryCIFFile, list_assemblies
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@@ -30,7 +30,8 @@ def get_structure_from_src(
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  def get_protein_chains(structure, min_res_n=0):
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  chain_ids = []
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  for atom_ch in chain_iter(structure):
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- atom_res = atom_ch[filter_amino_acids(atom_ch)]
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+ atom_res = atom_ch[filter_polymer(atom_ch)]
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+ atom_res = atom_res[filter_amino_acids(atom_res)]
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  if len(atom_res) > 0 and len(get_residues(atom_res)) > min_res_n:
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  chain_ids.append(str(get_chains(atom_res)[0]))
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  return tuple(chain_ids)
{rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: rcsb-embedding-model
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- Version: 0.0.9
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+ Version: 0.0.10
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  Summary: Protein Embedding Model for Structure Search
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  Project-URL: Homepage, https://github.com/rcsb/rcsb-embedding-model
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  Project-URL: Issues, https://github.com/rcsb/rcsb-embedding-model/issues
@@ -18,7 +18,7 @@ Description-Content-Type: text/markdown
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  # RCSB Embedding Model
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- **Version** 0.0.9
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+ **Version** 0.0.10
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  ## Overview
{rcsb_embedding_model-0.0.9.dist-info → rcsb_embedding_model-0.0.10.dist-info}/RECORD RENAMED
@@ -19,11 +19,11 @@ rcsb_embedding_model/modules/structure_module.py,sha256=dEtDNdWo1j2sSDa0JiOHQfEf
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  rcsb_embedding_model/types/api_types.py,sha256=3sPh33yb3Ya9r3O5vuiTfhb1WyFuhQWCQmewSbqEyG0,1076
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  rcsb_embedding_model/utils/data.py,sha256=x6ca_bVdBXEAp9ugCi1rVEQ-G5nGTFKpzDKqZKpkFBE,2933
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  rcsb_embedding_model/utils/model.py,sha256=rpZa-gfm3cEtbBd7UXMHrZv3x6f0AC8TJT3gtrSxr5I,852
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- rcsb_embedding_model/utils/structure_parser.py,sha256=jat4SCtPHYMZ6JJR-T7lPQoMbT_E8CwYSGDNSZjG86U,2697
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+ rcsb_embedding_model/utils/structure_parser.py,sha256=q_MmuU1AokZ-x-6ATxknJr_D6Sn3ZuaZ2yoJAIL-VIU,2767
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  rcsb_embedding_model/utils/structure_provider.py,sha256=eWtxjkPpmRfmil_DKR1J6miaXR3lQ28DF5O0qrqSgGA,786
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  rcsb_embedding_model/writer/batch_writer.py,sha256=ekgzFZyoKpcnZ3IDP9hfOWBpuHxUQ31P35ViDAi-Edw,2843
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- rcsb_embedding_model-0.0.9.dist-info/METADATA,sha256=QfzpBYhNIOBNOjOWkV1p4pDaFFXPmXIn9CThzR23oqo,5366
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- rcsb_embedding_model-0.0.9.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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- rcsb_embedding_model-0.0.9.dist-info/entry_points.txt,sha256=MK11jTIEmaV-x4CkPX5IymDaVs7Ky_f2xxU8BJVZ_9Q,69
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- rcsb_embedding_model-0.0.9.dist-info/licenses/LICENSE.md,sha256=oUaHiKgfBkChth_Sm67WemEvatO1U0Go8LHjaskXY0w,1522
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- rcsb_embedding_model-0.0.9.dist-info/RECORD,,
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+ rcsb_embedding_model-0.0.10.dist-info/METADATA,sha256=B3dnAVzWNRpSLQ-nN-KI0ntE1VIbAF5Rzc1Hx5vlGdk,5368
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+ rcsb_embedding_model-0.0.10.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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+ rcsb_embedding_model-0.0.10.dist-info/entry_points.txt,sha256=MK11jTIEmaV-x4CkPX5IymDaVs7Ky_f2xxU8BJVZ_9Q,69
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+ rcsb_embedding_model-0.0.10.dist-info/licenses/LICENSE.md,sha256=oUaHiKgfBkChth_Sm67WemEvatO1U0Go8LHjaskXY0w,1522
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+ rcsb_embedding_model-0.0.10.dist-info/RECORD,,