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Commit 21cf5da3 authored by Bienchen's avatar Bienchen
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Fixed loop indentation in the PDBize function for bio units, leading to

exponential running time/ memory consumption. This problem only affected a
fraction of PDB entries.
parent 79e6e6fa
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Changes in Release 1.2.2
* Fixed loop indentation in the PDBize function for bio units, leading to
exponential running time/ memory consumption. This problem only affected a
fraction of PDB entries.
Changes in Release 1.2.1 Changes in Release 1.2.1
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...@@ -425,6 +425,9 @@ def _PDBize(biounit, asu, seqres=None, min_polymer_size=10): ...@@ -425,6 +425,9 @@ def _PDBize(biounit, asu, seqres=None, min_polymer_size=10):
edi.SetChainDescription(new_chain, chain.description) edi.SetChainDescription(new_chain, chain.description)
edi.SetChainType(new_chain, chain.type) edi.SetChainType(new_chain, chain.type)
new_chain.SetStringProp('original_name', chain.name) new_chain.SetStringProp('original_name', chain.name)
if chain.HasProp("pdb_auth_chain_name"):
new_chain.SetStringProp("pdb_auth_chain_name",
chain.GetStringProp("pdb_auth_chain_name"))
for res in chain.residues: for res in chain.residues:
new_res = edi.AppendResidue(new_chain, res.name, res.number) new_res = edi.AppendResidue(new_chain, res.name, res.number)
_CopyAtoms(res, new_res, edi, tr) _CopyAtoms(res, new_res, edi, tr)
...@@ -455,6 +458,10 @@ def _PDBize(biounit, asu, seqres=None, min_polymer_size=10): ...@@ -455,6 +458,10 @@ def _PDBize(biounit, asu, seqres=None, min_polymer_size=10):
mol.ResNum(last_rnum+1, ins_code)) mol.ResNum(last_rnum+1, ins_code))
new_res.SetStringProp('description', chain.description) new_res.SetStringProp('description', chain.description)
new_res.SetStringProp('type', mol.StringFromChainType(chain.type)) new_res.SetStringProp('type', mol.StringFromChainType(chain.type))
new_res.SetStringProp("original_name", chain.name)
if chain.HasProp("pdb_auth_chain_name"):
new_res.SetStringProp("pdb_auth_chain_name",
chain.GetStringProp("pdb_auth_chain_name"))
ins_code = chr(ord(ins_code)+1) ins_code = chr(ord(ins_code)+1)
_CopyAtoms(res, new_res, edi, tr) _CopyAtoms(res, new_res, edi, tr)
conop.ConnectAll(pdb_bu) conop.ConnectAll(pdb_bu)
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