Encifer

1. Activating CSD-Community access for enCIFer

1.1. Starting the CCDC Software Activation tool graphical user interface

You will need to activate enCIFer in order to access features available in CSD-Community, but you can do so for free. To activate CSD-Community in a copy of enCIFer that is not activated, use the CCDC Activation tool and select the CSD-Community tab and then click ‘Activate’. The CCDC Activation tool can be started in the following way on each supported platform.

1.1.1. Windows

The CCDC Software Activation tools will be located in the

<INSTALLDIR>\CSD_2021\Software Activation

folder of a CSD Release installation, or

<INSTALLDIR>\Software Activation

in other CCDC product installers. To start the graphical user interface, double-click on ccdc_activator_gui.exe

1.1.2. Linux

The CCDC Software Activation tools will be located in the

<INSTALLDIR>/CSD_2021/bin

folder of a CSD Release installation, or

<INSTALLDIR>\software_activation

in other CCDC product installers. To start the graphical user interface, run ccdc_activator_gui

1.1.3. MacOS

The CCDC Software Activation tools will be located in the

<INSTALLDIR>/CSD_2021

folder of a CSD Release installation, or

<INSTALLDIR>\Software_Activation

in other CCDC product installers. To start the graphical user interface, double-click the CCDC-Software-Activation application.

2. CIF - The Crystallographic Information File

2.1. Introduction to the CIF

The small-molecule Crystallographic Information File (CIF: Hall, Allen & Brown, Acta Crystallographica, A47, 655-685, 1991) is a universal format for the electronic storage and exchange of crystallographic information. It has been adopted as the international standard for this purpose by the International Union of Crystallography (IUCr), and is used in:

·        Assembling laboratory archives.

·        Transferring crystallographic information between laboratories.

·        Depositing crystallographic information with most major journals.

·        Depositing data with the crystallographic databases.

·        As a database output format, e.g. for entries retrieved from the Cambridge Structural Database.

A CIF is an electronic ASCII file, which is intended to be human readable and editable. It consists of a set of data items which may appear individually or in looped lists. The lines in a CIF must not exceed 2048 characters in length, although a soft limit of around 80 characters per line is often used for easy readability and to ensure facile transmission via e-mail.

Full details of the small-molecule CIF, including leading references, can be found on the IUCr website at http://www.iucr.org/, and only a brief general introduction is provided here.

 
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