diff galaxy-tools/test-data/rdock/1nem_rdock.prm @ 2:0faa03a92843 draft default tip

Uploaded

--- a/galaxy-tools/test-data/rdock/1nem_rdock.prm	Fri Aug 26 09:55:15 2016 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,28 +0,0 @@
-RBT_PARAMETER_FILE_V1.00
-TITLE 1nem_APT
-
-RECEPTOR_FILE 1nem_rdock.mol2
-RECEPTOR_FLEX 3.0
-
-##################################################################
-### CAVITY DEFINITION: REFERENCE LIGAND METHOD
-##################################################################
-SECTION MAPPER
-    SITE_MAPPER RbtLigandSiteMapper
-    REF_MOL 1nem_lig.sd
-    RADIUS 4.0
-    SMALL_SPHERE 1.0
-    MIN_VOLUME 100
-    MAX_CAVITIES 1
-    VOL_INCR 0.0
-   GRIDSTEP 0.5
-END_SECTION
-
-#################################
-#CAVITY RESTRAINT PENALTY
-#################################
-SECTION CAVITY
-    SCORING_FUNCTION RbtCavityGridSF
-    WEIGHT 1.0
-END_SECTION
-