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2ND AND FINAL CALL FOR VOTES: X-PLOR/bionet.software.x-plor

BIOSCI Administrator biosci-help at net.bio.net
Tue May 23 21:59:55 EST 1995


This is the second and final call for votes on the following proposal
to create the mailing list & newsgroup

X-PLOR/bionet.software.x-plor

The charter was not modified as a result of the discussion.

*** NOTE *** We are often running several votes for other newsgroups,
so please be certain to follow the voting directions *carefully*!  If
you just send in a message saying "YES" or "NO" it will not be counted
if it is not clear which proposal you are responding to.

----------------------------------------------------------------------
Proposal to establish X-PLOR/bionet.software.x-plor

Proposed USENET name: bionet.software.x-plor

Proposed mailing list name: X-PLOR

Proposed mailing addresses: x-plor at net.bio.net
                            x-plor at daresbury.ac.uk

Discussion leader:

Axel T. Brunger
Howard Hughes Medical Institute and
Dept. of Molecular Biophysics and Biochemistry
Yale University
P.O. Box 208114
266 Whitney Avenue
Bass Center for Molecular and Structural Biology (BCMSB)
New Haven
CT 06520-8114

PHONE number: (203)-432-6143
FAX number: (203)-432-6946
Internet:  brunger at laplace.csb.yale.edu


Newsgroup charter:

X-PLOR is a forum for all those interested in using the program X-PLOR
for three dimensional structure determination of macromolecules using
X-ray Crystallography and Nuclear Magnetic Resonance Spectroscopy
(NMR).  X-PLOR is a program system for computational structural
biology. X-PLOR stands for exploration of conformational space of
macromolecules restrained to regions allowed by combinations of
empirical energy functions and experimental data.  But it also stands
for exploration of modern concepts of structured programming in
macromolecular simulation.

X-PLOR's main focus is the three-dimensional structure determination
of macromolecules using crystallographic diffraction or nuclear
magnetic resonance (NMR) data. The program is based on an energy
function approach: arbitrary combinations of empirical, geometric and
effective energy terms describing experimental data may be used. The
combined energy function can be minimized by a variety of gradient
descent, simulated annealing, and conformational search procedures.
X-PLOR was the first program to combine X-ray crystallographic
diffraction data and molecular dynamics for refinement. Since then the
program has undergone extensive development, and the focus has shifted
from refinement to structure determination. Major features of
computational X-ray crystallography and solution NMR-spectroscopy have
been included. Ongoing development of X-PLOR is aimed at providing a
comprehensive system for all computational aspects of macromolecular
structure determination.  A new release of the program is scheduled
for late 1995.

X-PLOR is more than a program: it is a macromolecular language. This
flexible language allows the user to experiment with new ideas without
being restricted to standard or hard-wired protocols. X-PLOR was
designed to provide user friendliness, machine portability, and highly
efficient algorithms for modern computers.

The program has been implemented on nearly all modern computer types
including vectorizing supercomputers. Furthermore, planning for a
general parallel version of X-PLOR has begun. Since the program has
been written in standard FORTRAN-77, it is usually straightforward to
implement the program on a new machine.  X-PLOR is currently used by
several thousand researchers in over 800 laboratories worldwide.

I propose the formation of a newsgroup called
"X-PLOR/bionet.software.x-plor" to continue dialogue between
scientists whose interests comprise the following:

*** reports of new developments and applications with X-PLOR

*** posting of frequently-asked questions and answers

*** reports of bugs and work-arounds

*** interchange of ideas for using X-PLOR

*** general discussion of issues relating to computational crystallography and
    solution NMR


Formation of a newsgroup will provide:

*** a forum for discussion of new ideas and recent developments for future
    versions of X-PLOR

*** a source of information for both novice and experienced participants.

*** bulletin board for announcements of bugs and new features.

*** means for initiating collaboration among participants.

*** a repository of practical advice and other information, including advances
    in relevant methodology.

The newsgroup will be unmoderated.
----------------------------------------------------------------------

Voting on the proposal for X-PLOR/bionet.software.x-plor will run
through 24:00 hrs Pacific Time on 3 June 1995.  Please send your vote
to either of the following addresses:

Address                               Location        Network
-------                               --------        -------
biovote at daresbury.ac.uk               U.K.            JANET
biovote at net.bio.net                   U.S.A.          Internet/BITNET

PLEASE BE SURE TO FOLLOW THE FORMAT BELOW - WE OFTEN RUN MORE THAN ONE
VOTE AT A TIME SO A SIMPLE "YES" OR "NO" MESSAGE WITHOUT THE NEWSGROUP
NAME MAY BE AMBIGUOUS.  Your vote should contain a single line:

YES on X-PLOR

if you favor allowing the creation of this newsgroup or

NO on X-PLOR

if you think that this proposal will adversely affect the
BIOSCI/bionet system.  While not intended to be an exhaustive list of
possible concerns (more specific concerns may have been raised during
the discussion period on BIOFORUM/bionet.general and interested
readers are referred to these), some general reasons for voting NO
might be if you are concerned about newsgroup proliferation and/or
believe that the proposed group will not be utilized, or if you think
that the proposed newsgroup would substantially duplicate or overlap
with the function of existing newsgroups.  If you are simply not
interested in participating in the newsgroup above, please don't cast
a NO vote, but instead just don't vote at all.

The newsgroup proposal must receive at least 80 YES votes to pass and
the number of YES votes must be greater than the number of NO votes by
at least 40.  Discussion of the newsgroup proposal is now closed and
we strongly discourage posting any messages in other forums about the
fact that a CALL FOR VOTES has been issued.

				Sincerely,

				Dave Kristofferson
				BIOSCI/bionet Manager

				biosci-help at net.bio.net



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