Skip to content

Check PDBQT CRYST1 reading #3306

Open
Open
@IAlibay

Description

@IAlibay

Follow up from #3132

In the PDB standard a CRYST1 from a non-crystallographic system is set to [1,1,1,90,90,90], in those cases we set dimensions to None. For the PDBQT reader we just read whatever is in CRYST1, we should check if the same behaviour as the PDB reader needs to be follow here. See: https://github.com/MDAnalysis/mdanalysis/pull/3132/files#r628898514

Additional task:

Metadata

Metadata

Assignees

No one assigned

    Type

    No type

    Projects

    No projects

    Milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions