Ignore TURN comments in PDBs #1351
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swails
approved these changes
Jun 24, 2024
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PDB files in the protein-ligand benchmarks have
TURNin their header, which prevents ParmEd from reading the PDB files correctly. I'm not sure how these were prepared, but I think it comes from Maestro. I'm also not sure if this is within spec of the PDB format, but this change seems innocuous and allows processing of the benchmark set in ParmEd.