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CCPN Web Applications

An overview of the Internet based services CCPN offers

CCPN web applications and WeNMR

As detailed below we currently run four web services at CCPN, although by virtue of CCPN's connections with the WeNMR project there is a means to run many more services, elsewhere on a pan-European computational grid.

How you register to use the applications

To use CCPN's web applications please request authorisation by contacting the Administrator. Due to third-party license issues, please note that authorisation is only given to academic and other not-for-profit users.

Current application

CcpNmr FormatConverter

Convert between 30+ NMR data formats. Import data into a CCPN project.

The FormatConverter web interface was designed to convert between any existing (mostly textual) NMR data formats. Typical data include peak lists, restraints & chemical shifts. The underlying code is based on the existing CcpNmr FormatConverter code written by Wim Vranken, and was interfaced to this web site in a collaborative effort by the team from CCPN, the EBI at Hinxton, and Spronk NMR Consultancy.

Go to the FormatConverter web application


Create topology parameter files for arbitrary organic compounds.

CcpNmr ACPYPE has been designed so that you can include arbitrary organic molecules within a biomolecular structure calculation. Structure determination methods require that each component of a system has the connectivity and physical parameters (e.g. charges) of its atoms defined. Typically, this information is only readily available for the most common biological molecules and moieties. CcpNmr ACPYPE overcomes this problem.

Go to the ACPYPE web application

CcpNmr Grid

Structure calculation grid server. Currently running ARIA 2.

The CcpNmr Grid portal is a way of calculating the 3-dimensional structures of biological macromolecules using data derived from NMR spectroscopy. It works by submitting a CCPN project that contains your data to perfom the calculation remotely. When the job is complete, a CCPN project with the result is sent back and an array of analytical web pages are made available. Please note that this service is only available for not-for-profit users.

Go to the CcpNmr Grid web application

CCPN Project Upgrade

Convert version 1.0 projects to version 2.0.

If you have old projects that were made with CCPN software before the 2.0 release, such projects will not work with the latest versions of our software. This web service will perform the conversion from version 1.0 to 2.0 for you. You simply upload a CCPN project (compressed and without spectrum files) and get a new one back. You have two days to download the converted project before it is removed. Note that conversions between minor CCPN updates, e.g. from 2.0.5 to 2.0.6 or 2.0.6 to 2.1.0 do not need this service. Such minor conversions are dealt with automatically by CCPN software.

Go to the CCPN Project Upgrade service

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The CcpNmr Format Converter exchanges data between textual NMR formats using the CCP data model as a hub.

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ACPYPE creates various types of topology parameter files from compound definitions input as PDB or MOL2 format.

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CcpNmr Grid runs ARIA NOE refinement and structure calculations by exchanging information with a CCPN project.