A Workshop on Software for Protein Crystallography

Wed Jan 18 22:30:29 EST 1995


Under the auspices of the American Crystallographic Association's Committee on
 Apparatus and Standards and its Synchrotron Radiation Special Interest Group

     Sponsored by R.M. Sweet (SR-Sig) Biology Dept., Brookhaven National
 Laboratory, E.M. Westbrook (A&S), Structural Biology Center, Argonne National
    Laboratory, and Steven Ealick (A&S), Biochemistry Dept., Cornell Univ.

        To be held at Brookhaven National Laboratory 19-21 March 1995

                            18 January 1995

The need for a workshop:
Synchrotron Radiation has become an important tool for protein and virus
crystallographers.  The maturing of existing sources and the building of new
ones will create an explosion in their use.  The investment in time and
treasure both to build and to use these facilities is high.  While the x-ray
beams are getting hotter and the equipment to use them is becoming more
complicated, potential users of these facilities are becoming both more
numerous and less experienced in experimental crystallography.  There is a
tremendous need to make the user interface to these facilities as easy to use
as possible.

An important component of this interface is the software that controls almost
every step in the data-collection process.  The operators of these facilities
have constructed or are contemplating construction of graphical user
interfaces to this software.  The chief motive for this is to assure first
the quality and then the quantity of the data that are produced.  This can
be achieved only when the experimenter is able to control the measurements
and to assess the merit of the results in ways he can understand and
control.  Graphical computer interfaces provide a tool to make this control
as convenient to use and easy to understand as possible. 

At least some of us are creating these programs from whole cloth: we have
little knowledge of what others are doing and have no formal training in the
field of modern GUI design.  To correct both of these deficits in ongoing work
and to stimulate communication among the relatively small community of SR-
source protein crystallographers, we propose to meet together to discuss what
we have done, to hear experts in GUI design, and perhaps to define common
themes and to establish standards for beamline interfaces.

Structure of a workshop:
The workshop will be held at Brookhaven National Laboratory during Sunday
afternoon through Tuesday afternoon, 19-21 March 1995.  The precise program
will depend on contributions from attendees, but here are some likely topics
and questions:

     Lectures on industry-wide standards for GUIs from GUI theorists.

     Descriptions and on-line demonstrations of GUI's that have been written
     or are under construction.

     Beamline control, data acquisition, and data reduction: how can these be
     integrated to provide control and reliability?

     Discussions of standards within the SR/PX community that might lead to a
     uniformity among beamlines.

Working groups will be formed to address particular questions.  At the end we
will have prepared a document to guide us in future construction of graphical
interfaces to software for beamline data-collection facilities.

How to attend the workshop:
     1.    Print out, fill out, and return the form below, with a check, to
           Ms. Ann Emrick, the BNL local contact, by paper post (Air- not E-

     2.    Use an E-mail or phone message to R.M. Sweet (see below) to state
           your intention to come.  In return, you will be sent more
           information about the possible content of the workshop and asked
           specific questions about the contribution you might make.

     3.    Do all of this soon -- We need to book rooms; we want to know what
           you can contribute.


Hosted by:      Robert M. Sweet, BNL
                Edward Westbrook, ANL
                Steven Ealick, Cornell

Organizer:      Robert M. Sweet
                Biology Department
                Brookhaven National Laboratory
                Upton, NY 11973
                Phone: (516)282-3401; fax: (516)282-3407
                E-mail:  Sweet at BNL.GOV

Local Contact:  Ann Emrick
                Biology Department
                Brookhaven National Laboratory
                Upton, NY 11973
                phone: (516)282-5756; fax: (516)282-3407
                E-mail:  Emrick at BNL.GOV

When and Where:
       Brookhaven National Laboratory, Upton, Long Island, NY
       Sunday afternoon, March 19 - Tuesday afternoon, March 21, 1995

Attendance limitations:
       The lecture room will accomodate no more than 80 under semi crowded 
       conditions.  We will have housing for no more than about 70 
       visitors.  Please book early so we can tell if we must move mountains 
       to accomodate the meeting.

                  Registration Form for the GUI Workshop
                Deadline for Registration is March 1, 1995

Full Name_________________________________________________________________
Mailing Address___________________________________________________________
Phone:__________________ Fax: ___________________ E-Mail:_________________

Financial Information:
Please enclose a check or money order for $150.00; this will cover the
workshop fee, but not housing costs.  All checks should be made payable to
Associated Universities, Inc. and must be drawn against a US bank. 

Housing Information:
Limited housing is available on site.  Housing charges may be paid to the
Housing Receptionist upon arrival.  Although Brookhaven does not send
confirmation of the reservation, the reservation is guaranteed. On-site
housing is limited, therefore, the specific choice of accomodation may not
be available.  Please note first and second choice.  If a reservation is
not cancelled by 1:00pm on the date of arrival, you will be billed for the
night's lodging.  Check out time is 3:00pm. 

Arrival Date _______________ Departure Date_____________ Male___ Female__

Note first and second choice:
___   Dormitory Room  (single room w/shared bath) $13.25 per day 
___   Guest House (twin-bedded room w/bath)  $50 per day single/$57 double)
___   Apartment (1 to 3 bedroom w/shared bath) $50 per day per person

All attendees are responsible for their own breakfast and lunch.  The 
workshop fee includes a buffet dinner on Sunday and a banquet on Monday 
as well as coffee breaks.  There is a cafeteria located in the same 
building as the workshop.

All attendees should arrange for their own transportation to and from BNL.
Shuttle service from the workshop to the housing area will be provided.

                          Ann Emrick
                   Brookhaven National Laboratory
                      Biology Dept, Bldg. 463
                       Upton, NY 11973-5000
               Phone: (516)282-5756  Fax:  (516)282-3407

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