diff options
| author | davor <vorgrimmlerdavid@gmx.de> | 2013-01-23 12:28:04 +0100 |
|---|---|---|
| committer | davor <vorgrimmlerdavid@gmx.de> | 2013-01-23 12:28:04 +0100 |
| commit | 00f48c56d8f3aa66acc37da88011f118c7bdd679 (patch) | |
| tree | 43b23b8b2ff67300c75260b015238015c6ca8306 | |
| parent | d9032f15c4ca0b50e44919a61822ed716f93ed82 (diff) | |
Removed jl_keys from installer. Information is stored in pc_descriptors.
| -rwxr-xr-x | install | 1 | ||||
| -rw-r--r-- | jl_keys.yaml | 38 |
2 files changed, 0 insertions, 39 deletions
@@ -72,7 +72,6 @@ if ! grep "rbenv" $OT_UI_CONF >/dev/null 2>&1 ; then fi [ -f $HOME/.opentox/config/pc_descriptors.yaml ] || (cmd="cp pc_descriptors.yaml $HOME/.opentox/config/" && run_cmd "$cmd" "Pc descriptor file") -[ -f $HOME/.opentox/config/jl_keys.yaml ] || (cmd="cp jl_keys.yaml $HOME/.opentox/config/" && run_cmd "$cmd" "Joelib keys file") [ -f $OT_TOOLS_CONF ] || (cmd="cp ot-tools-user.sh $OT_TOOLS_CONF" && run_cmd "$cmd" "ot-tools.sh => $HOME/.opentox") diff --git a/jl_keys.yaml b/jl_keys.yaml deleted file mode 100644 index 22f26ae..0000000 --- a/jl_keys.yaml +++ /dev/null @@ -1,38 +0,0 @@ -[ - "joelib2.feature.types.FractionRotatableBonds", - "joelib2.feature.types.GeometricalDiameter", - "joelib2.feature.types.GeometricalRadius", - "joelib2.feature.types.GeometricalShapeCoefficient", - "joelib2.feature.types.GraphShapeCoefficient", - "joelib2.feature.types.KierShape1", - "joelib2.feature.types.KierShape2", - "joelib2.feature.types.KierShape3", - "joelib2.feature.types.LogP", - "joelib2.feature.types.MolarRefractivity", - "joelib2.feature.types.MolecularWeight", - "joelib2.feature.types.PolarSurfaceArea", - "joelib2.feature.types.FractionRotatableBonds", - "joelib2.feature.types.RotatableBonds", - "joelib2.feature.types.TopologicalDiameter", - "joelib2.feature.types.TopologicalRadius", - "joelib2.feature.types.ZagrebIndex1", - "joelib2.feature.types.count.AcidicGroups", - "joelib2.feature.types.count.AliphaticOHGroups", - "joelib2.feature.types.count.AromaticBonds", - "joelib2.feature.types.count.AromaticOHGroups", - "joelib2.feature.types.count.BasicGroups", - "joelib2.feature.types.count.HBA1", - "joelib2.feature.types.count.HBA2", - "joelib2.feature.types.count.HBD1", - "joelib2.feature.types.count.HBD2", - "joelib2.feature.types.count.HeavyBonds", - "joelib2.feature.types.count.HeteroCycles", - "joelib2.feature.types.count.HydrophobicGroups", - "joelib2.feature.types.count.NO2Groups", - "joelib2.feature.types.count.NumberOfAtoms", - "joelib2.feature.types.count.NumberOfBonds", - "joelib2.feature.types.count.NumberOfHal", - "joelib2.feature.types.count.OSOGroups", - "joelib2.feature.types.count.SO2Groups", - "joelib2.feature.types.count.OSOGroups" -] |