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  • pdbepdbe
  • ccdutilsccdutils
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  • #12
Closed
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Issue created May 29, 2017 by Oliver Smart@oliver_smartMaintainer

Add DMSO and Sildenafil to list of test CCD cif files

  • In previous work I found that SOx groups could cause problems.
  • Please look up DMSO and Sildenafil (Viagra) in PDBeChem and add to directory with test cif files.
  • How do the molecules perform in current tests?
  • When committing the files you must include where the files were obtained (exact url) in the commit message.
  • Include reference to this issue number in the commit message. See https://docs.gitlab.com/ee/user/project/issues/automatic_issue_closing.html
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