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rowanwalker96 committed Jan 6, 2025
1 parent 00c48a5 commit 28f040a
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Showing 2 changed files with 6 additions and 3 deletions.
3 changes: 2 additions & 1 deletion xce/lib/XChemRefine.py
Original file line number Diff line number Diff line change
Expand Up @@ -603,7 +603,8 @@ def add_validation(self, cmd, cycle, program):
)
buster_report += "cd " + self.ProjectPath + "/" + self.xtalID + "\n"
buster_report += (
"export BDG_TOOL_MOGUL=/dls_sw/apps/CSDS/2024.1.0/ccdc-software/mogul/bin/mogul\n"
"export BDG_TOOL_MOGUL="
"/dls_sw/apps/CSDS/2024.1.0/ccdc-software/mogul/bin/mogul\n"
)
buster_report += "buster-report -d Refine_%s\n" % cycle

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6 changes: 4 additions & 2 deletions xce/lib/XChemUtils.py
Original file line number Diff line number Diff line change
Expand Up @@ -86,7 +86,8 @@ def make_png(
software += "module load buster/20240123\n"
software += (
"export BDG_TOOL_MOGUL="
"/dls_sw/apps/CSDS/2024.1.0/ccdc-software/mogul/bin/mogul\n"
"/dls_sw/apps/CSDS/2024.1.0/ccdc-software/mogul/bin/mogul"
"\n"
)
software += "export BDG_TOOL_OBABEL='none'\n"

Expand Down Expand Up @@ -184,7 +185,8 @@ def make_png(
software += "module load ccp4/7.1.018\n"
software += "module load buster/20240123\n"
software += (
"export BDG_TOOL_MOGUL=/dls_sw/apps/CSDS/2024.1.0/ccdc-software/mogul/bin/mogul\n"
"export BDG_TOOL_MOGUL="
"/dls_sw/apps/CSDS/2024.1.0/ccdc-software/mogul/bin/mogul\n"
)
software += "export BDG_TOOL_OBABEL='none'\n"
if external_software["mogul"]:
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