examples/gtalign.md
... ...
@@ -14,6 +14,12 @@ my_arch=gpu # Set to gpu or mp
14 14
model_one=1CIF # ID of structure one
15 15
model_two=1YCC # ID of structure two
16 16
17
+echo "## Start SBGrid environment"
18
+export SBGRID_ALLOW=true # SBGrid internal dev only
19
+source /programs/sbgrid.shrc
20
+export GTALIGN_X=0.16.0-alpha
21
+echo "## Using GTALIGN version: ${GTALIGN_X} "
22
+
17 23
## Set MP or GPU:
18 24
my_gtalign=gtalign_${my_arch}
19 25
... ...
@@ -33,11 +39,6 @@ model_two_file=${model_two}.cif.gz
33 39
model_two_url=https://files.rcsb.org/download/${model_two_file}
34 40
35 41
36
-echo "## Start SBGrid environment"
37
-export SBGRID_ALLOW=true # SBGrid internal dev only
38
-source /programs/sbgrid.shrc
39
-export GTALIGN_X=0.16.0-alpha
40
-echo "## Using GTALIGN version: ${GTALIGN_X} "
41 42
42 43
echo "## Download structures:"
43 44
wget ${model_one_url}