removed XChemExplorer_dmd.sh from gitignore

xchem · Aug 21, 2017 · 87c1922 · 87c1922
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commit 87c1922
Showing 1 changed file with 10 additions and 0 deletions.
diff --git a/XChemExplorer_dmd.sh b/XChemExplorer_dmd.sh
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+#!/bin/bash
+#module purge
+export XChemExplorer_DIR="/dls/science/groups/i04-1/software/XChemExplorer/XChemExplorer"
+source $XChemExplorer_DIR/setup-scripts/xce.setup-sh
+module unload ccp4
+source /dls/science/groups/i04-1/software/pandda-update/ccp4-linux64-2016-10-22-0115/bin/ccp4.setup-sh
+ccp4-python $XChemExplorer_DIR/XChemExplorer.py 
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