Syntax error, line #744

Computer-Aided Drug Design at the Durrant Lab Forums Dimorphite-DL Syntax error, line #744

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      Norwid Behrnd

      Dear Professor Durrant,
      Dear maintainer of Dimorphite-DL,

      I would like to suggest substitution of a line in script, line #744. Currently (2021-03-03), the file states

      if line is not "":

      which causes, running the script in Linux Debian 11 / bullseye (branch testing) with Python 3.9.1 the brief note

      SyntaxWarning: "is not" with a literal. Did you mean "!="?
      if line is not "":

      The warning may be muted if the line in question reads

      if line is not None:

      instead. Replying to an issue about OpenBabel on GitHub

      your program was one of the first programs seen a couple of moments ago, possibly complementary to the one your colleague, Geoff Hutchison , curates.

      With best regards,

      Norwid Behrnd

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