PDBx/mmCIF
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Data Category software

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General

Category name
software
Required in PDB entries
no
Category group membership
computing_group
Used in current PDB entries
Yes, in about 88.8 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description 

               Data items in the SOFTWARE category record details about 
               the software used in the structure analysis, which implied
               any software used in the generation of any data items
               associated with the structure determination and
               structure representation. 

               These data items provide an alternative, and more thorough, 
               method for referencing computer programs than do data items 
               in the COMPUTING category.

Category Example

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     loop_
    _software.name
    _software.version
    _software.date
    _software.type 
    _software.contact_author
    _software.contact_author_email
    _software.location
    _software.classification
    _software.citation_id
    _software.language
    _software.compiler_name
    _software.compiler_version
    _software.hardware
    _software.os
    _software.os_version
    _software.dependencies
    _software.mods
    _software.description
       Prolsq    unknown  .    program     'Wayne A. Hendrickson'  ?
       'ftp://rosebud.sdsc.edu/pub/sdsc/xtal/CCP4/ccp4/'    refinement
        ref5  Fortran
       'Convex Fortran' v8.0 'Convex C220' ConvexOS  v10.1
       'Requires that Protin be run first'    optimized
       'restrained least-squares refinement'

Key Data Items

Category Data Items

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