Skip to content

Add support for zero-order bond #25

@merkys

Description

@merkys

Clark, 2011 argues for introduction of zero-order bonds to ease the representation of non-organic compounds. This suggestion was directed at MDL format, but I believe it is also applicable to SMILES. Currently the representation of metal coordination in SMILES is ambiguous: one may represent it using single bond or not represent interaction at all, losing an important piece of information.

As for the symbol, I think ! could be easy to remember as it resembles both a dashed line (used in Clark, (2011)) and asymmetry due to donor-acceptor interactions.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions