Mercurial > repos > bgruening > autodock_vina_prepare_box

diff test-data/box_params.txt @ 0:761762031eee draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit a657ca32e9a470d710e483e9c3c2706726bec9a3
author bgruening
date Wed, 17 Apr 2019 09:11:01 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/box_params.txt	Wed Apr 17 09:11:01 2019 -0400
@@ -0,0 +1,13 @@
+
+size_x =  12.443000000000001
+size_y =  11.888
+size_z =  9.290999999999997
+center_x =  -29.8395
+center_y =  4.364
+center_z =  -64.5925
+num_modes = 9999
+energy_range = 9999
+exhaustiveness = 10
+cpu = 4
+seed = 1
+            
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