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@CCP-NC

CCP-NC

The Collaborative Computational Project for NMR Crystallography

CCP-NC

About

CCP-NC supports a multidisciplinary community of NMR spectroscopists, crystallographers, materials modellers and application scientists by developing and integrating software across the area of NMR crystallography. This is an emerging field, recently recognised by the International Union of Crystallography, defined as the combined use of experimental NMR and computation to provide new insight, with atomic resolution, into structure, disorder, and dynamics in the solid state.

Support for the research community includes, but is not limited to:

  • development of data processing and visualisation tools
  • enabling the use of state-of-the-art electronic structure calculations
  • training and practical support for ab initio calculation of NMR parameters
  • HPC access

The CCP-NC community consists of academic and industrial research groups from across the United Kingdom, supported by the Science and Technology Facilities Council. The CCP-NC is funded by the Engineering and Physical Sciences Research Council (EPSRC) grant: EP/T026642/1 (previous grants: EP/J010510/1 and EP/M022501/1).

Citing

Any publications making use of CCP-NC software should be acknowledged with text of the form:

This work was facilitated by software tools (specifically X and Y) developed by the Collaborative Computing Project for NMR Crystallography, funded by EPSRC grant EP/T026642/1.

Useful links

Sign up to our mailing list here:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?A0=CCP-NC-ANNOUNCE

Visit our website to learn more:
https://www.ccpnc.ac.uk/

The CCP-NC database (upload your .magres files here!):
https://www.ccpnc.ac.uk/database

MagresView 2.0:
https://ccp-nc.github.io/magresview-2/

Pinned Loading

  1. magresview-2 magresview-2 Public

    Forked from stur86/magresview-2

    MagresView 2.0 - NMR crystallography visualisation app

    JavaScript 2

  2. soprano soprano Public

    Soprano - a Python library to crack crystals!

    Jupyter Notebook 9 13

Repositories

Showing 10 of 18 repositories
  • metrics Public

    This repository automates the collection, storage, and persistence of GitHub traffic metrics for repositories within the CCP-NC organisation.

    CCP-NC/metrics’s past year of commit activity
    0 0 0 0 Updated Dec 30, 2024
  • nomad-parser-magres Public Forked from nomad-coe/nomad-parser-magres

    NOMAD parser for the magres file format.

    CCP-NC/nomad-parser-magres’s past year of commit activity
    Python 1 Apache-2.0 14 0 0 Updated Dec 16, 2024
  • soprano Public

    Soprano - a Python library to crack crystals!

    CCP-NC/soprano’s past year of commit activity
    Jupyter Notebook 9 LGPL-3.0 13 4 (1 issue needs help) 0 Updated Dec 9, 2024
  • CCP-NC/ccpnc-database’s past year of commit activity
    Python 4 3 11 1 Updated Dec 6, 2024
  • ccpnc-nomad-oasis Public

    NOMAD Oasis distro adapted to host CCP-NC Magres database

    CCP-NC/ccpnc-nomad-oasis’s past year of commit activity
    Dockerfile 0 Apache-2.0 0 0 0 Updated Nov 7, 2024
  • crystvis-js Public Forked from stur86/crystvis-js

    A Three.js based crystallographic visualisation tool

    CCP-NC/crystvis-js’s past year of commit activity
    JavaScript 0 MIT 6 2 0 Updated Oct 15, 2024
  • magresview-2 Public Forked from stur86/magresview-2

    MagresView 2.0 - NMR crystallography visualisation app

    CCP-NC/magresview-2’s past year of commit activity
    JavaScript 0 MIT 5 18 0 Updated Oct 8, 2024
  • pynics Public

    Library to compute Nuclear Independent Chemical Shieldings from NMR CASTEP calculations

    CCP-NC/pynics’s past year of commit activity
    Python 4 MIT 1 0 0 Updated Oct 2, 2024
  • orgdisord Public
    CCP-NC/orgdisord’s past year of commit activity
    Python 1 MIT 0 0 0 Updated May 14, 2024
  • dipolar_averages Public

    Python script for calculating dipolar 2nd moments under molecular motion

    CCP-NC/dipolar_averages’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Apr 11, 2024

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