8000 Validate mol/sdf in V3K version · Issue #47 · grimme-lab/mctc-lib · GitHub
[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content
Validate mol/sdf in V3K version #47
New issue
New issue
Open
Open
Validate mol/sdf in V3K version#47
Labels
bugSomething isn't working
@awvwgk

Description

@awvwgk
awvwgk
opened on Jun 13, 2022

Seems like the mol/sdf produced by the writer in V3K format is not completely correct. The OpenFF parser has problems with recognizing the produced output.

Metadata

Metadata

Assignees

No one assigned

    Labels

    bugSomething isn't working

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions
      0