Commit 00725db1 authored by Jose Duarte's avatar Jose Duarte
Browse files

Removing protocol, unclear what is it for

parent f43640b9
...@@ -501,10 +501,6 @@ def to_modelcif(prot: Protein) -> str: ...@@ -501,10 +501,6 @@ def to_modelcif(prot: Protein) -> str:
model_group = modelcif.model.ModelGroup([model], name='All models') model_group = modelcif.model.ModelGroup([model], name='All models')
system.model_groups.append(model_group) system.model_groups.append(model_group)
protocol = modelcif.protocol.Protocol()
# protocol.steps.append(modelcif.protocol.ModelingStep(
# input_data=aln, output_data=model))
system.protocols.append(protocol)
fh = io.StringIO() fh = io.StringIO()
modelcif.dumper.write(fh, [system]) modelcif.dumper.write(fh, [system])
modelcifstr = fh.getvalue() modelcifstr = fh.getvalue()
...@@ -567,7 +563,7 @@ def from_prediction( ...@@ -567,7 +563,7 @@ def from_prediction(
if __name__ == "__main__": if __name__ == "__main__":
pdb_file = '/home/jose/Downloads/171l.pdb' pdb_file = '/home/jose/Downloads/171l.pdb'
# pdb_file = '/home/jose/Downloads/2trx.pdb' # pdb_file = '/home/jose/Downloads/2trx.pdb'
cif_file = '/home/jose/test1.cif' cif_file = '/home/jose/test2.cif'
with open(pdb_file, 'r') as file: with open(pdb_file, 'r') as file:
pdbstr = file.read() pdbstr = file.read()
......
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