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CD/CD1 in ILE

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  • Ed Pozharski
    Is there a good reason to have this CD/CD1 conversion when reading a PDB file? All it takes, in my understanding, to avoid this is to modify the protein.top
    Message 1 of 1 , May 4 2:06 PM
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      Is there a good reason to have this CD/CD1 conversion when reading a PDB
      file? All it takes, in my understanding, to avoid this is to modify the
      protein.top and protein_rep.param to reflect the new atom name. In a
      similar fashion, * versus ' in nucleic acids can be easily fixed so that
      there is no need to convert pdb files when going to Coot and back. Am I
      missing some potential problem?

      --
      Edwin Pozharski, PhD, Assistant Professor
      University of Maryland, Baltimore
      ----------------------------------------------
      When the Way is forgotten duty and justice appear;
      Then knowledge and wisdom are born along with hypocrisy.
      When harmonious relationships dissolve then respect and devotion arise;
      When a nation falls to chaos then loyalty and patriotism are born.
      ------------------------------ / Lao Tse /
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