Known Issues in 20230726 BUSTER release:

ALF database error

Two bogus (monitor-only) torsion restraints are present in the distributed ALF database $BDG_home/database/files/MakeTNT/adjust_LNNN.db: lines 1419 and 1435 should be removed. If you have write permissions you can do this via

grep -v "^GEOMETRY .*TORSION [^+]*+[^+]*$" $BDG_home/database/files/MakeTNT/adjust_LNNN.db > tmp && cat tmp > $BDG_home/database/files/MakeTNT/adjust_LNNN.db

If you don't have write permissions:

grep -v "^GEOMETRY .*TORSION [^+]*+[^+]*$" $BDG_home/database/files/MakeTNT/adjust_LNNN.db > my_adjust_LNNN.db
refine ... autoBUSTER_AdjustLNNN_Database=/where/ever/my_adjust_LNNN.db ...

Creation of summary.png files

If BUSTER fails to create those montage pictures ("summary.png" with refinement progress and reciprocal-space correlation plots) showing an error of

.../autoBUSTER/bin/linux64/aB_refinesummary: line 795: png_reduce_size: command not found

in Plots/aB_refinesummary.log, adding the following code as-is to a newly created file $BDG_home/autoBUSTER/bin/linux64/png_reduce_size and/or $BDG_home/autoBUSTER/bin/darwin/png_reduce_size should fix this:


my_png_reduce_size () {
  if [ $# -ge 2 ]; then
    if [ -x $__prs_convert ]; then
      for __prsf in $@
        [ -f $__prsf ] && $__prs_convert $__prsf -colors 50 __$$.png_reduce_size.png && mv __$$.png_reduce_size.png $__prsf

my_png_reduce_size $@

You will also need to make those files executable via

chmod 0755 $BDG_home/autoBUSTER/bin/*/png_reduce_size

If that is not possible, one can also set autoBUSTER_RefineSummary_ReducePngSize=no (on the command-line, as environment variable or e.g. in $BDG_home/setup_local.{sh,csh}) to switch off that feature completely.