.. _gws:

****************
Grade Web Server
****************

The Grade Web Server http://grade.globalphasing.org/ provides a way
to use Grade2 (or Grade) without having to licence and install both
`BUSTER <https://www.globalphasing.com/buster/>`_ and the
`CSD-core <https://www.ccdc.cam.ac.uk/solutions/csd-core/>`_ packages.
To provide easy access to Grade2 the `CCDC <https://www.ccdc.cam.ac.uk/>`_
as kindly agreed that we can provide a free-to-use Grade Web Server
that includes the use of CSD software and data.

Please note that use of the Grade Web Server is subject to agreeing
to the conditions of use:

http://grade.globalphasing.org/grade_server/conditions.html

**The Grade Web Server should only be used for non-confidential ligands.**

The Grade Web Server was
`publicly announced in March 2012
<https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?A2=CCP4BB;94bd95fa.1203>`_
and in the first ten years of its operation it has been used to produce
over 20,000 restraint dictionaries.
On 14 December 2022, an improved version of the Grade Web Server that
runs Grade2 was made available.
As part of this work the Grade Web Server user interface has been
improved by simplifying the entry forms and providing help links.
A wider range of input file types is now supported including MOL/SDF
and CIF restraint dictionaries.
It is also possible to run the original Grade although this is
deprecated and the service will eventually be withdrawn.

Videos showing how to use Grade Web Server
==========================================

    .. image:: images/using_gws_youtube_1.png
       :alt: Using the Grade Web Server: 1 Introduction
       :target: https://youtu.be/RenUOI9rUJM

    Video:
    `Using the Grade Web Server: 1 Introduction <https://youtu.be/RenUOI9rUJM>`_

    .. image:: images/using_gws_youtube_2.png
       :alt: Using the Grade Web Server: 2 SMILES from Sketcher
       :target: https://youtu.be/sH6OQSJoVNw

    Video:
    `Using the Grade Web Server: 2 SMILES from Sketcher <https://youtu.be/sH6OQSJoVNw>`_

    .. image:: images/using_gws_youtube_3.png
       :alt: Using the Grade Web Server: 3 Input the SMILES string
       :target: https://youtu.be/t6KinyWvt0s

    Video:
    `Using the Grade Web Server: 3 Input the SMILES string <https://youtu.be/t6KinyWvt0s>`_

    .. image:: images/using_gws_youtube_4.png
       :alt: Using the Grade Web Server: 4 The Results Page
       :target: https://youtu.be/8YiYTqQXW1I

    Video:
    `Using the Grade Web Server: 4 The Results Page <https://youtu.be/8YiYTqQXW1I>`_

    .. image:: images/using_gws_youtube_5.png
       :alt: Using the Grade Web Server: 5 Unpacking results tarball & using restraints
       :target: https://youtu.be/SEkHqNkmbCY

    Video:
    `Using the Grade Web Server: 5 Unpacking results tarball & using restraints <https://youtu.be/SEkHqNkmbCY>`_

*(Page updated 29 December 2022)*