Skip to content

Sugammadex protons #2

@Chebuu

Description

@Chebuu

All those carboxylic acids are carboxylates at physiological pH (presumably). I could just delete them from the SMILES string, but ideally it should be done programmatically before assembling the complex with stk.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions