Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite/changelog.txt @ 1:867bf9f815a0

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author g2cmnty@test-web1.g2.bx.psu.edu
date Sun, 26 Jun 2011 13:45:14 -0400
parents bac3c274238f
children
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0:bac3c274238f 1:867bf9f815a0
1 Version 0.93, 05-30-2011 : 1 Version 0.94, 06-27-2011:
2 - Fixed tool-startup script for pathes containing whitespaces
3 - New tool SpatialConstraintDefiner
4 - New tool InteractionConstraintDefiner
5 - Removed superficial pathes from startup-script
6 - Slight change in ParamFile format (i.e. the files written with -write_par)
7 - Renamed IMeedyDock to IMGDock
8
9 Version 0.93, 05-30-2011:
2 - Split Rescorer into 3 tools: SimpleRescorer, TaGRes-train, TaGRes (Target-Specific Grid-Rescoring) 10 - Split Rescorer into 3 tools: SimpleRescorer, TaGRes-train, TaGRes (Target-Specific Grid-Rescoring)
3 - Allow to optionally specify output filenames to LigandFileSplitter 11 - Allow to optionally specify output filenames to LigandFileSplitter
4 - Fixed creation of galaxy-scripts for tools with inputfile-lists 12 - Fixed creation of galaxy-scripts for tools with inputfile-lists
5 - Fixed creation of galaxy-scripts for Converter and DockResultMerger 13 - Fixed creation of galaxy-scripts for Converter and DockResultMerger
6 - Automatically create and add all files necessary for integration of CADDSuite into Galaxy to the makeself archive 14 - Automatically create and add all files necessary for integration of CADDSuite into Galaxy to the makeself archive
15 - Fixed reading of mulitple ScoreGridSets (for cases when no ini-file is used) 23 - Fixed reading of mulitple ScoreGridSets (for cases when no ini-file is used)
16 - Simplified use of VendorFinder by allowing to set all db-parameters on the command-line (instead of using ini-file) 24 - Simplified use of VendorFinder by allowing to set all db-parameters on the command-line (instead of using ini-file)
17 - Enhanced several tool manuals 25 - Enhanced several tool manuals
18 - Let tools register their category (e.g. Preparation, Docking, etc.). Write and read information about this category to/from ParamFiles. 26 - Let tools register their category (e.g. Preparation, Docking, etc.). Write and read information about this category to/from ParamFiles.
19 27
20 Version 0.92, 05-17-2011 : 28 Version 0.92, 05-17-2011:
21 - Speed-up of ob-mol generation 29 - Speed-up of ob-mol generation
22 - Support build on Windows 30 - Support build on Windows
23 - ProteinCheck now generates protein-quality report as pdf 31 - ProteinCheck now generates protein-quality report as pdf
24 - Added info about mandatory parameters and parameter-restrictions to parameter xml-file 32 - Added info about mandatory parameters and parameter-restrictions to parameter xml-file
25 - Simplified use of DBImporter+DBExporter by allowing to set all db-parameters on the command-line (instead of using ini-file) 33 - Simplified use of DBImporter+DBExporter by allowing to set all db-parameters on the command-line (instead of using ini-file)