Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate 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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1
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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diff changeset
1 Version 0.94, 06-27-2011:
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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2 - Fixed tool-startup script for pathes containing whitespaces
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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3 - New tool SpatialConstraintDefiner
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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4 - New tool InteractionConstraintDefiner
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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5 - Removed superficial pathes from startup-script
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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6 - Slight change in ParamFile format (i.e. the files written with -write_par)
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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7 - Renamed IMeedyDock to IMGDock
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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8
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g2cmnty@test-web1.g2.bx.psu.edu
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9 Version 0.93, 05-30-2011:
0
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
marcel
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10 - Split Rescorer into 3 tools: SimpleRescorer, TaGRes-train, TaGRes (Target-Specific Grid-Rescoring)
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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11 - Allow to optionally specify output filenames to LigandFileSplitter
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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12 - Fixed creation of galaxy-scripts for tools with inputfile-lists
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
marcel
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13 - Fixed creation of galaxy-scripts for Converter and DockResultMerger
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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14 - Automatically create and add all files necessary for integration of CADDSuite into Galaxy to the makeself archive
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
marcel
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15 - New tool MolFilter
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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16 - Fixed some gnuplot issues
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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17 - Added PDBDownload tool
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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18 - Slight change of format of ParamFile
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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19 - Added some missing tool-manuals
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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20 - Disable B-factor check for hydrogens in ProteinCheck
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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21 - Added safeguards to several tools
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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22 - Automatically delete existing hydrogens from BALL-system before protonation is done by ProteinProtonator
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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23 - Fixed reading of mulitple ScoreGridSets (for cases when no ini-file is used)
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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24 - Simplified use of VendorFinder by allowing to set all db-parameters on the command-line (instead of using ini-file)
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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25 - Enhanced several tool manuals
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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26 - Let tools register their category (e.g. Preparation, Docking, etc.). Write and read information about this category to/from ParamFiles.
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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27
1
867bf9f815a0 Uploaded
g2cmnty@test-web1.g2.bx.psu.edu
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28 Version 0.92, 05-17-2011:
0
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29 - Speed-up of ob-mol generation
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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30 - Support build on Windows
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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31 - ProteinCheck now generates protein-quality report as pdf
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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32 - Added info about mandatory parameters and parameter-restrictions to parameter xml-file
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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33 - Simplified use of DBImporter+DBExporter by allowing to set all db-parameters on the command-line (instead of using ini-file)
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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34 - Simplified use of some other tools by merging several flags into one string-parameter that has restrictions.
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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35 - New tool MolDepict. It generates structure diagrams for small molecules by using openbabel's svg-writer and merges them to one pdf-file (3 on 5).
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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36 - Allow to create makeself-archive containing CADDSuite, all necessary contrib-libs, data-files and install-script
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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37 - Write information about supported file-formats to parameter xml-file
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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38 - new tool ProteinProtonator
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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39 - new tool Ligand3DGenerator
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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40 - new tool GalaxyConfigGenerator
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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41 - allow to open file that do not have an extension (by searching for format-specific keywords)
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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42
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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43 Version 0.91, 04-12-2011:
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44 - All tools now write a manual text to cout as well as to parameter xml-file (as generated by 'write_par)
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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45
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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46 Version 0.9