Mercurial > repos > marpiech > norwich_tools_dock

diff test-data/acpc/output_mol2reader @ 3:8c2e85bb2ce9 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
author marpiech
date Tue, 20 Sep 2016 09:57:24 -0400
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/acpc/output_mol2reader	Tue Sep 20 09:57:24 2016 -0400
@@ -0,0 +1,37 @@
+ZINC01061693 0
+-6.617400 -0.336600 -0.518500 -0.173400
+-5.932700 -1.784100 1.290600 -0.249800
+-5.293900 -0.250300 -0.950500 0.005600
+-4.609200 -1.698000 0.858600 0.010800
+-6.936700 -1.103400 0.602000 0.147300
+-4.289800 -0.931000 -0.262000 -0.800000
+-9.633300 0.373800 -0.136100 0.301300
+-2.845300 1.806400 -0.174800 -0.034700
+-1.919600 0.319900 1.552900 -0.034500
+-2.111000 2.958400 0.496500 -0.030800
+-1.224500 1.534600 2.151800 -0.030400
+-9.244500 -1.076500 0.028100 -0.041200
+-2.096500 0.542600 0.088000 -0.841400
+-10.610700 0.550100 -1.090900 -0.430900
+-9.131800 1.289500 0.509600 -0.328400
+-1.915600 -1.994900 -0.329400 -0.915700
+-2.626100 -0.482800 -2.215300 -0.913300
+-1.986800 2.717100 1.899800 -0.270100
+-8.228300 -1.188000 1.023400 -0.171500
+-2.614500 -0.821300 -0.808100 2.766700
+-7.395400 0.195400 -1.059400 0.156600
+-6.175300 -2.383000 2.164100 0.135400
+-5.056300 0.349900 -1.824500 0.154000
+-3.834600 -2.231900 1.402400 0.148300
+-3.858900 1.710300 0.231400 0.102700
+-2.904900 1.985900 -1.252900 0.109700
+-1.310500 -0.573600 1.722300 0.107700
+-2.904500 0.177600 2.012500 0.102600
+-1.114000 3.106800 0.064500 0.071100
+-2.673700 3.888000 0.365500 0.115600
+-1.136700 1.418400 3.236500 0.069200
+-0.213900 1.661400 1.745600 0.114500
+-8.862100 -1.462100 -0.921900 0.097600
+-10.119100 -1.655700 0.339800 0.094900
+-10.993600 -0.240800 -1.598300 0.214100
+-10.984400 1.465100 -1.322600 0.240400