Known Issues in 20190301 BUSTER release:


Please also check the BUSTER home page and the news page for updates and snapshot releases. Issues mostly related to external programs can still be active: please check here.

Wrong item label in BUSTER_refln.cif (fixed in snapshot 20190529).

Within the deposition-ready mmCIF file produced by BUSTER (BUSTER_refln.cif) there is a typo regarding one of the column labels: the sigma value for the structure factor amplitude on model scale (SIGFOSC in refine.mtz) should be specified as F_meas_sigma and not as F_sigma.

One option is to run

  % sed "s/F_sigma /F_meas_sigma /g" BUSTER_refln.cif > BUSTER_refln_fixed.cif

This will be corrected in the next release.

At the time of writing (March 2019) the PDB validation server is confused when there are inlined comments in the cif file. You can run the following:

  % sed "s/refln.F_sigma /refln.F_meas_sigma /g" BUSTER_refln.cif | sed "s%[ ]* #.*from dataset.*%%g" >

Furthermore you'll have to move the top comment lines below the first data record. Something like this:

  % cat BUSTER_refln.cif | \
    sed -e "s/refln.F_sigma /refln.F_meas_sigma /g" \
        -e "s%[ ]* #.*from dataset.*%%g" | \
    awk '/^#/{if(s){print;next};c++;a[c]=$0;next}/^data/{print;if(s)next;s=1;for(i=1;i<=c;i++){print a[i]}next}{print}' \
      > BUSTER_refln_fixed.cif