1999 Background
A description of what led to the CCPN being founded in 1999
The
CCPN was set up in 1999 to establish a collaborative computing project
(CCP) for the NMR community, similar to that provided by CCP4 for X-ray
crystallographers. It is funded by a grant from the UK Biotechnology
and Biological Sciences Research Council (BBSRC). The initial stages of
the project have been co-ordinated by the grant applicants, Ernest Laue
and Andrew Raine from the Department of Biochemistry in Cambridge and
John Ionides from the EBI Macromolecular Structural Database Group. In
the longer term CCPN will be run by a working group comprising these
applicants as well as key software developers from other NMR groups
(from the UK or elsewhere), database groups (e.g. BMRB, EBI-MSD, RCSB)
and the pharmaceutical industry (e.g. AstraZeneca, DuPont, Glaxo and
NCI-Frederick) as well as the NMR instrument manufacturers (e.g.
Bruker, Varian). The working group will report to a management
committee comprising representatives from all the major UK NMR groups,
the companies supporting the project and representative groups from
overseas.
CCPN was set up with three main aims in mind:
Users
of the various NMR software packages have traditionally had difficulty
moving data between these different packages. CCPN will promote
discussions to establish a common standard for NMR data, spectrum and
structure files. Due to the high level of participation of the various
NMR software development groups in the working group, this definition
should lay the essential groundwork for straightforward interchange of
data between the different software packages commonly used by NMR
spectroscopists. The presence of instrument manufacturers, NMR software
development groups and database groups (e.g. RCSB, BMRB, EBI-MSD) in
the working group should also lead to the development of data
harvesting.
CCPN
will also undertake the long-term development and maintenance of
high-quality software for processing, analysis and interpretation of
macromolecular NMR data. Initial work will concentrate on developing
new, platform independent, versions of the processing package AZARA and
the analysis package ANSIG, both built in previous projects in the
Department of Biochemistry in Cambridge. These programs will be
distributed free to the academic NMR community. In addition, other
groups will be encouraged to develop complementary tools and to
distribute their software along with the main CCPN package.
As
an integral part of this project, courses, meetings and workshops will
be organised on macromolecular NMR. The aim is to provide a forum for
discussion of computational and experimental NMR techniques and the
best practice for determination of macromolecular structures by NMR.
Initial workshops and meetings will focus on the definition of a
standard and software for data analysis.
It
is vital to the success of this project that the standards and software
produced are taken up by the NMR community. CCP4 has successfully
encouraged this in the crystallographic community by using
contributions from industrial laboratories to subsidise attendance at
workshops and discussion meetings by young scientists in the field. We
plan to follow their excellent example and will use the industrial
contributions for the same purpose.