Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

_pdbx_chem_comp_descriptor.program

Name:
'_pdbx_chem_comp_descriptor.program'

Definition:

   This data item contains the name of the program
   or library used to compute the descriptor.

Examples:

OPENEYE OpenEye OECHEM library
CACTVS CACTVS program library
DAYLIGHT Daylight program library
OTHER Other program or library

Type: line

Mandatory item: yes

Category: pdbx_chem_comp_descriptor


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.