problem writing double bond enumrration to file

Computer-Aided Drug Design at the Durrant Lab Forums Gypsum-DL problem writing double bond enumrration to file

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      Peter L
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      Hi I did a quick test on doublebond enumeration using dichoroethylene input as 'ClC=CCl'. What is odd is the command line interface gives the Eand z isomers just fine:

      Contents of MolContainers
          MolContainer #0 (untitled_line_1)
              Mol #0: Cl/C=C/Cl
              Mol #1: Cl/C=C\Cl
      

      Saving molecules associated with…
      ClC=CCl

      but the output gypsum_dl_success.sdf file upon converting to a smiles file containing two cis isomers only:

      EMPTY MOLECULE DESCRIBING GYPSUM-DL PARAMETERS
      

      C(=C\Cl)\Cl untitled_line_1
      C(=C\Cl)\Cl untitled_line_1

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