diff CADDSuite/changelog.txt @ 4:af446ca2d5c6

Uploaded

--- a/CADDSuite/changelog.txt	Tue Jul 12 10:53:07 2011 -0400
+++ b/CADDSuite/changelog.txt	Fri Sep 02 08:54:17 2011 -0400
@@ -1,4 +1,15 @@
-Version 0.95, 07-12-2011:
+Version 0.9.6, 08-20-2011:
+	- MolFilter: Use union of SMARTS matches instead of intersection
+	- Support for reading and writing compressed molecule files (*.gz)
+	- Added optional parameter for output log-file to DBImporter
+	- Added flag for disabling uniqueness-check to LigCheck
+	- mol2-files: disabled gaff atom-typing for speed-up
+	- drf-files: automatically add new protein-conformations
+	- Ligand3DGenerator: disable fallback-use of openbabel-UFF force field since it turned out to be unstable
+	- InputReader: made sure to always calculate correct set of features
+	- Fixed a nan problem during centering of QSAR data
+
+Version 0.9.5, 07-12-2011:
 	- Let rescoring search for correct LigCheck molecule property-tags
 	- Indicate optional parameters in galaxy interface
 	- Fixed compilation with disabled QuEasyViz
@@ -6,7 +17,7 @@
 	- Set some default values for flags for use in GUIs
 	- Clarified EvenSplit docu
 
-Version 0.94, 06-27-2011:
+Version 0.9.4, 06-27-2011:
 	- Fixed tool-startup script for pathes containing whitespaces
 	- New tool SpatialConstraintDefiner
 	- New tool InteractionConstraintDefiner
@@ -14,7 +25,7 @@
 	- Slight change in ParamFile format (i.e. the files written with -write_par)
 	- Renamed IMeedyDock to IMGDock
 
-Version 0.93, 05-30-2011:
+Version 0.9.3, 05-30-2011:
 	- Split Rescorer into 3 tools: SimpleRescorer, TaGRes-train, TaGRes (Target-Specific Grid-Rescoring)
 	- Allow to optionally specify output filenames to LigandFileSplitter
 	- Fixed creation of galaxy-scripts for tools with inputfile-lists
@@ -33,7 +44,7 @@
 	- Enhanced several tool manuals
 	- Let tools register their category (e.g. Preparation, Docking, etc.). Write and read information about this category to/from ParamFiles.
 
-Version 0.92, 05-17-2011:
+Version 0.9.2, 05-17-2011:
 	- Speed-up of ob-mol generation
 	- Support build on Windows
 	- ProteinCheck now generates protein-quality report as pdf
@@ -48,7 +59,7 @@
 	- new tool GalaxyConfigGenerator
 	- allow to open file that do not have an extension (by searching for format-specific keywords)
 
-Version 0.91, 04-12-2011:
-	- All tools now write a manual text to cout as well as to parameter xml-file (as generated by 'write_par)
+Version 0.9.1, 04-12-2011:
+	- All tools now write a manual text to cout as well as to parameter xml-file (as generated by -write_par)
 
 Version 0.9