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Provide clearer error message in case alternate conformers are provided.
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disvis/main.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -106,8 +106,8 @@ def parse_interaction_selection(fid, pdb1, pdb2):
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pdb2_sel = pdb2.select('name', ('CA', "O3'")).select('resi', resi2)
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if (len(resi1) != pdb1_sel.natoms) or (len(resi2) != pdb2_sel.natoms):
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msg = ("Some selected residues where not found in the PDB file. Please "
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"check your input residues.")
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msg = ("Some selected interaction residues where either missing in the PDB file "
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"or had alternate conformers. Please check your input residues and remove alternate conformers.")
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raise ValueError(msg)
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return pdb1_sel, pdb2_sel

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