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    • Studer Gabriel's avatar
      mmcif writer: Derive info on chemical components from compound library · 9146eff8
      Studer Gabriel authored
      previously this was done with residue ChemClasses. This is set by the
      compound library anyways during processing when loading a structure.
      The problem: when we suddenly need info on chemical components for stuff
      that is in the SEQRES but nowhere resolved in the structure. I really
      tried hard to avoid the requirement for the compound library in mmcif
      writing but there seems no way around.
      9146eff8
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