Issue with saving files

Computer-Aided Drug Design at the Durrant Lab › Forums › Gypsum-DL › Issue with saving files

Tagged: 

Viewing 2 reply threads
  • Author
    Posts
    • September 18, 2019 at 6:14 pm #10224
      Nikhil Bajaj
      Guest

      Gypsum was given input of .smi file, with arguments –add_pdb_output and –add_html_output.
      HTML output was successful, showing 5 conformations of input file in 2D, but no pdb files were generated and the created .sdf file was empty.

      Error message:

      Saving molecules associated with…
      OC@H[C@@H]1O[C@@H]2C@@HC[C@H](NC(
      C3=CC=CC=C3)=O)C@@HO2
      Illegal instruction (core dumped)

      (Note: Python 3 is being used to run the program)

      Any help would be appreciated.

    • September 18, 2019 at 6:15 pm #10225
      Nikhil Bajaj
      Guest

      Sorry, issue was local and was resolved.

    • October 1, 2019 at 1:49 am #10270
      Jacob Durrant
      Keymaster

      Happy to hear that you resolved the issue in the end. Much thanks for your interest in Gypsum-DL!

  • Author
    Posts
Viewing 2 reply threads
  • The topic ‘Issue with saving files’ is closed to new replies.