[buster-discuss] New Global Phasing BUSTER software release providing numerous fixes and improvements

[BUSTER Developers]

Dear BUSTER user,


     We are pleased to announce a new release of our software containing
several improvements and multiple fixes across all packages. The majority of
those are in response to feedback from, and discussions with, our users -
thank you all very much! As usual, you will find more details in the Release
Notes at

  https://www.globalphasing.com/buster/ReleaseNotes/ReleaseNotes-BUSTER_snapshot_20230726.txt

of which a summary may be found below.


     We have again needed to modify Grade2 in response to a major breaking
change in the latest (2023.2) CSD distribution - this time, in the Python
API. Our fix for this problem will require some operational precautions when
updating our software and/or the CSD, that are detailed in the Grade2
documentation at https://gphl.gitlab.io/grade2_docs/csd_compatibility.html .

     Fixes related to very recent Perl versions, awk syntax and directory
names containing "@" characters have been applied to Pipedream and BUSTER.
Protections against restraints with sigmas set to zero have been added to
Grade2 and the detection of a (usually faster) OS-provided Gnuplot binary has
been improved.

     Pipedream now produces a montage of plots, similar to that generated by
the aB_autorefine interface to BUSTER, to provide an overall picture of the
progress of the refinement process before and after ligand fitting. Several
improvements have been made in BUSTER, e.g. to the reporting of duplicate
restraints and of the decision making involved in generating potentially
missing SSBOND records.

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Please remember that these highlights are only a condensed summary of the
much more extensive information given in the Release Notes referred to at
the beginning of this announcement, that you are urged to consult in full.
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     As always, we kindly ask that support requests and feedback be sent to
our developers' mailing lists:

       buster-develop at globalphasing.com

rather than to individual developers.


     With best wishes,

The Global Phasing developers