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\begin{center}
\large\bf MINUTES OF THE WORKING GROUP 1 \\MEETING OF CCP4   \\
\large\bf HELD AT CHESTER ON JANUARY 6, 1995
\end{center}\vspace{5ex}
 
\noindent{\it Present:}  

\noindent
\begin{tabular}{@{}l@{\hspace*{2em}}l}
\\
Neil Isaacs   (Chairman)                  & Glasgow University    \\
Peter Artymiuk & Sheffield University \\
Eleanor Dodson  & York University\\
Phil Evans                      & MRC, Cambridge        \\
John Helliwell & Manchester University \\
Peter Lindley & Daresbury Laboratory \\
%David Love (Acting secretary)             & Daresbury Laboratory  \\
David Moss & Birkbeck College\\
Hilary Muirhead & Bristol University \\
David Rice            & Sheffield University  \\
Lindsay Sawyer                  & Edinburgh University  \\
Tony North & Leeds University \\
Keith Wilson & York (ESF rep.) \\
Alan Wonacott (industrial rep.) & Glaxo \\
Susan Bailey (secretary) & Daresbury Laboratory
\end{tabular}\vspace{2ex}

\noindent{\it Apologies:\/}  Garry Taylor, Dave Stuart.

The Chairman noted that shortly after Herman Watson had tendered his 
resignation at the last WG1 meeting Herman had been operated on for a heart 
condition and had not recovered. The chairman asked that the members stand for a minutes silence to remember Herman.

Eleanor suggested that the secretary write to Herman's widow to express our 
appreciation for the contribution Herman has made to the CCP4 community.

\section{Minutes of the previous meeting }

The minutes of the previous meeting were accepted. Peter L. asked for 
clarification of the position of Julia 
Goodfellow as chairman of the CCP steering panel. The chairman said that the
steering panel no longer exists.

The secretary had received a letter from David Blow resigning from the WG1
committee and suggesting Peter Brick as a replacement.

\section{Matters arising from the minutes}

\begin{itemize}
\item [\S3.]  The Chairman asked whether the BCA had been approached about 
the idea of setting up a trust fund for CCP4. The secretary had approached 
Ann Bloomer and sent relevant documents but had not received a response. Peter 
L. thought that the changing position of Daresbury Laboratory might mean that 
the issue of carrying money over from year to year would be less of a problem 
in the future.

\item [\S8.] Lindsay asked who is looking after the database of European 
Crystallographers and whether a link to the database could be included
on the CCP4 WWW page. The secretary agreed to do this.


John H. asked whether we should stay with the name  CCP4 with the abolition 
of SERC. There are no changes envisaged.
 
\end{itemize}

\section{Financial position }

The secretary presented the income and expenditure details for the 94/95 year 
(see enclosed information). The entry for salaries only covers the 
temporary staff employed out 
of CCP4 income. Peter L. suggested including  1.5 staff years on the 
balance sheet to reflect the permanent staff.

Tony questioned the photocopy bill and it was explained that this bill also
included distribution costs of both the newsletter and back copies of the 
proceedings. A charge of \pounds 10 is now generally made for back copies of
the proceedings.

Kevin Cowtan's funding from CCP4 runs out in May when Kevin hopes to move to
a BBSRC grant at York. If this does not work out there was general agreement 
that CCP4 should continue to support Kevin.

Tony raised the matter of CCP4 staff visiting external laboratories. The 
secretary said this did happen, however, in her experience, these visits had 
to be arranged for 
a specific purpose in order to be worthwhile. The increase in communication by
email has meant that the Daresbury staff are able to keep strong contacts 
with other laboratories. It was noted that the Daresbury 
staff are still happy to visit university sites. 

\section{Commercialisation }

A document (enclosed) from the chairman had been circulated and was
the basis for discussion on the potential commercialisation of CCP4. Option 2 
of
this document was the most favoured way forward. This involves CCP4 becoming 
more pro-active with respect to development of new software.

The chairman noted that if we are to pursue this option a few items needed 
discussing. Firstly, will Daresbury continue to to support CCP4 staff. Peter
L. expected that the current support would continue. Phil
felt that although support staff need to be based at Daresbury, it may be more appropriate for staff involved in development to be based elsewhere.

Eleanor thought that rather than advertise a position and see who applies, it
is more appropriate to find a person already involved in suitable software 
development and offer to provide funding. Keith suggested A.A. Vagin who
is currently working in Brussels on an EU grant. Peter L. strongly supported
Keith's suggestion. The chairman suggested that Keith Henderson, currently 
unemployed could usefully be paid to do some work on a 6 month contract.

Tony agreed that supporting suitable people was good but felt that we need to 
make sure that the development occurs in a coordinated fashion.

Keith thought we need to identify where there are gaps in the CCP4 suite so 
that effort is channelled in the right directions. David M. noted that although we want to fill gaps in order to make a more complete suite for industrial 
distribution, the scientific content is also important and we should aim to 
improve this.
Some gaps in the current suite and areas for improvement were identified, 
including refinement, 
isomorphous replacement, graphical aspects, interfacing to other packages and
data collection using CCD detectors. Refinement was 
identified as a key area where improvements could be made. Eleanor pointed  
out that Garib (York) was already working in the area of refinement,
and collaborating with A.A. Vagin.

The chairman thought this was a different approach with CCP4 basically offering
research grants. Peter L. raised the problem of nationality, but others felt that
it is possible to get round this problem. 

The general consensus is that we need to identify a priority list of what
needs doing and then use both options of advertising positions at Daresbury and
asking for people who have projects that need funding.

The chairman suggested passing these ideas on to WG2 and letting them set this up.
This was agreed.

\section{Grant renewal}

The Chairman summarised the grant application. The work suggested for CCP4
includes:
\begin{enumerate}
\item{New program development} including improvement of isomorphous replacement
(mlphare) and inclusion of programs for maximum entropy. Refinement should
also perhaps be included here.
\item{Conversion to use CIF format}
\item{Graphical User Interface}
\item{Maintenance and enhancement of existing software}
\end{enumerate}

Tony asked to what extent we should reveal the level of industrial income to
CCP4. The chairman replied that it was not intended to hide this information.

For this renewal it is also necessary to specify the salaries of the permanent
Daresbury staff so that BBSRC know the level of funding.

The grant will be put in with Peter L. (as Daresbury representative) as the 
principal investigator and Neil and David R. as coapplicants.

\section{Next Study Weekend}

The chairman asked for suggestions for topics and organisers. Eleanor 
suggested refinement for the topic and herself and Keith as organisers. David 
M.
suggested phase determination and Keith suggested direct methods. It was felt that the meeting needed to be more focused than the last two years. The 
suggestion of refinement was very popular and this recommendation would be passed to WG2. Keith thought this should include atomic resolution structures and
John H. suggested D. Cruickshank as a potential speaker. Peter L. 
suggested asking a younger member of the community to be involved in the
organisation.


\section{Any other business}

Tony asked about the membership of WG and WG2 and suggested it be expanded to
include the new UK crystallography groups. The secretary agreed that new 
groups should be invited and said she would do this.
 
Keith noted that he was present under false pretences as the ESF no longer 
exists. However there is a new European initiative:  The European Network for 
the Development of Advanced Methods in Macromolecular Crystallography. This does not have enough money for postdocs but will be able to fund workshops and
visits between laboratories. This could also be used to fund Europeans attending CCP4 wg meetings.
The secretary asked Keith to write a couple of
pages about this for the next newsletter.


Peter L. suggested inviting a BBSRC representative to attend future WG1 meetings. This was agreed.

\section{Venue and date of the next meeting}

The next meeting will be on the first morning of the next
study weekend, in the same place as that meeting.

\noindent --- Sue Bailey (secretary)
\end{document}