PDBx/mmCIF
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Data Category pdbx_ligscreen_investigation_software

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General

Category name
pdbx_ligscreen_investigation_software
Required in PDB entries
no
Category group membership
ligscreen_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               Data items in the PDBX_LIGSCREEN_INVESTIGATION_SOFTWARE category record details about
               the software used to generate the investigation file.

Category Example

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    loop_
    _pdbx_ligscreen_investigation_software.ordinal
    _pdbx_ligscreen_investigation_software.name
    _pdbx_ligscreen_investigation_software.version
    _pdbx_ligscreen_investigation_software.version_year
    _pdbx_ligscreen_investigation_software.contact_author
    _pdbx_ligscreen_investigation_software.contact_author_email
    _pdbx_ligscreen_investigation_software.location
    _pdbx_ligscreen_investigation_software.language
    _pdbx_ligscreen_investigation_software.mods
    _pdbx_ligscreen_investigation_software.description
    _pdbx_ligscreen_investigation_software.reference_DOI
    1   mmcif-gen  v1.1.0   2025   'Ahsan Tanweer'  ?   'https://github.com/PDBeurope/mmcif-gen'   Python   ?   'Generates mmCIF Investigation files.'   ? 
    2   gemmi      0.7.3    2025   'Marcin Wojdyr'  ?   'https://github.com/project-gemmi/gemmi'   Python   ?   'Reads and writes mmCIF files.'          ?

Key Data Items

Category Data Items

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