Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

#3951 - Aromatizing causes NULL in export to MDL Molfile V2000 format file #5192

Open
wants to merge 1 commit into
base: master
Choose a base branch
from

Commits on Jul 30, 2024

  1. Fix for the issue epam#3951

    When a molecule name is null we now don't print out 'null' but print an empty string instead.
    
    This is in accordance with the specification:
    A compound record contains several distinct sections. First, there is a three-line header block. These three lines may contain:
    
    The name of the molecule
    Details of the software used to generate the compound structure
    A comment
    Alternatively, any (or all) of these lines may be left blank.
    Alexander Kulyakhtin committed Jul 30, 2024
    Configuration menu
    Copy the full SHA
    d79d5b5 View commit details
    Browse the repository at this point in the history