From: <sh...@us...> - 2010-02-11 16:19:02
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Revision: 15384 http://cdk.svn.sourceforge.net/cdk/?rev=15384&view=rev Author: shk3 Date: 2010-02-11 16:17:50 +0000 (Thu, 11 Feb 2010) Log Message: ----------- Added templates by Witek Modified Paths: -------------- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/JCPMenuTextMaker.java jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/TemplateBrowser.java jchempaint/branches/3_0/src/main/org/openscience/jchempaint/resources/JCPGUI_applet.properties jchempaint/branches/3_0/src/main/org/openscience/jchempaint/resources/JCPGUI_application.properties jchempaint/branches/3_0/src/main/org/openscience/jchempaint/resources/JChemPaintResources.properties Added Paths: ----------- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alloc.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/dmt.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/dmt.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/fmoc.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/fmoc.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/pht.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/pht.png jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/trt.mol jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/trt.png Modified: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/JCPMenuTextMaker.java =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/JCPMenuTextMaker.java 2010-02-11 15:17:29 UTC (rev 15383) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/JCPMenuTextMaker.java 2010-02-11 16:17:50 UTC (rev 15384) @@ -313,6 +313,7 @@ entries.put("selectProducts", GT._("Select Products")); entries.put("reactionMenuTitle", GT._("Reaction Popup Menu")); entries.put("alkaloids", GT._("Alkaloids")); + entries.put("amino_acids", GT._("Amino Acids")); entries.put("beta_lactams", GT._("Beta Lactams")); entries.put("carbohydrates", GT._("Carbohydrates")); entries.put("inositols", GT._("Inositols")); @@ -320,6 +321,7 @@ entries.put("miscellaneous", GT._("Miscellaneous")); entries.put("nucleosides", GT._("Nucleosides")); entries.put("porphyrins", GT._("Porphyrins")); + entries.put("protecting_groups", GT._("Protecting Groups")); entries.put("steroids", GT._("Steroids")); } Modified: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/TemplateBrowser.java =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/TemplateBrowser.java 2010-02-11 15:17:29 UTC (rev 15383) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/TemplateBrowser.java 2010-02-11 16:17:50 UTC (rev 15384) @@ -158,7 +158,7 @@ allPanel.add(allButton); } tabbedPane.addTab(GT.getStringNoExtraction(key.replace('_', ' ')), panel ); - if(tabToSelect.equals(key.replace('_',' '))){ + if(tabToSelect.equals(key)){ tabbedPane.setSelectedIndex(count+1); } count++; @@ -234,7 +234,7 @@ if(withsubdirs){ for(int k=0;k<dir.list().length;k++){ if(dir.listFiles()[k].getName().indexOf(".mol")>-1){ - MDLV2000Reader reader = new MDLV2000Reader(new FileInputStream(dir.listFiles()[k]), Mode.STRICT); + MDLV2000Reader reader = new MDLV2000Reader(new FileInputStream(dir.listFiles()[k]), Mode.RELAXED); IMolecule cdkmol = (IMolecule)reader.read(DefaultChemObjectBuilder.getInstance().newMolecule()); entriesMol.get(dir.getName()).add(cdkmol); entriesMolName.put(cdkmol,dir.listFiles()[k].getName().substring(0,dir.listFiles()[k].getName().length()-4)); Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,16 @@ +Alanine + CDK 1/19/10,15:9 + + 6 5 0 0 0 0 0 0 0 0999 V2000 + 104.0000 133.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 147.3010 108.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 190.6030 133.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 190.6030 183.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 233.9040 108.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 147.3010 58.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 6 1 0 0 0 0 + 3 4 2 0 0 0 0 + 3 5 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alanine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alloc.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/alloc.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,29 @@ +Arginine + CDK 1/19/10,16:38 + + 12 11 0 0 0 0 0 0 0 0999 V2000 + 1.1180 2.9689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1138 4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4107 5.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.1873 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7119 4.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4065 6.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4843 4.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7854 5.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0823 4.4544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3835 5.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.6804 4.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3877 6.7007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 2 0 0 0 0 + 10 12 1 0 0 0 0 +M CHG 1 12 1 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/arginine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,22 @@ +Asparagine + CDK 1/19/10,15:44 + + 9 8 0 0 0 0 0 0 0 0999 V2000 + -0.6443 1.1268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6485 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6485 3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9496 3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9496 2.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6442 4.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2466 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5477 3.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2423 1.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 9 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/asparagine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,22 @@ +Aspartic Acid + CDK 1/19/10,15:46 + + 9 8 0 0 0 0 0 0 0 0999 V2000 + -1.3568 0.9768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3610 2.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0640 3.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6621 3.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2371 2.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0682 4.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9590 2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2602 3.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9548 0.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 9 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/aspartic_acid.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,28 @@ +L-Citrulline + CDK 2/11/10,12:47 + + 12 11 0 0 0 0 0 0 0 0999 V2000 + -2.5981 -7.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2990 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2990 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -9.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2991 -6.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8971 -2.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8971 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1961 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 1 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 2 0 0 0 0 + 10 12 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/citruline.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,18 @@ +Cysteine + CDK 1/19/10,15:47 + + 7 6 0 0 0 0 0 0 0 0999 V2000 + -1.9900 0.6492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2176 1.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2822 1.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9449 3.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0096 0.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0546 3.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4447 3.2729 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/cysteine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,24 @@ +Glutamic Acid + CDK 1/19/10,15:48 + + 10 9 0 0 0 0 0 0 0 0999 V2000 + -0.3383 1.3061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3285 2.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9755 3.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6226 3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2695 2.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9853 5.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9265 2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2206 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5245 2.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2107 5.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 8 10 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamic_acid.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,24 @@ +Glutamine + CDK 1/19/10,15:49 + + 10 9 0 0 0 0 0 0 0 0999 V2000 + -0.2997 1.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3180 2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9718 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6261 3.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2799 2.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9536 5.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9159 2.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2239 3.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5137 2.7611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2422 5.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 8 10 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glutamine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,14 @@ +Glycine + OpenBabel01191015072D + + 5 4 0 0 0 0 0 0 0 0999 V2000 + 104.0000 133.0000 0.0000 N 0 0 0 0 0 + 147.3010 108.0000 0.0000 C 0 0 0 0 0 + 190.6030 133.0000 0.0000 C 0 0 0 0 0 + 190.6030 183.0000 0.0000 O 0 0 0 0 0 + 233.9040 108.0000 0.0000 O 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 2 0 0 0 + 3 5 1 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/glycine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,27 @@ +Histidine + CDK 1/19/10,15:51 + + 11 11 0 0 0 0 0 0 0 0999 V2000 + 2.0415 1.6037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4690 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9279 -0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4376 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9593 0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3554 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0213 -0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5968 0.8106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1609 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4407 -0.7676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0921 0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 9 2 0 0 0 0 + 8 11 1 0 0 0 0 + 9 10 1 0 0 0 0 + 11 10 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/histidine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,22 @@ +Isoleucine + CDK 1/19/10,16:20 + + 9 8 0 0 0 0 0 0 0 0999 V2000 + -0.2723 0.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3046 2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9779 2.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2928 2.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9456 4.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6195 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6519 4.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9021 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2170 2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 6 1 0 0 0 0 + 3 4 2 0 0 0 0 + 3 5 1 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 1 0 0 0 0 + 8 9 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/isoleucine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,22 @@ +Leucine + CDK 1/19/10,16:21 + + 9 8 0 0 0 0 0 0 0 0999 V2000 + -0.6093 1.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6416 2.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6410 3.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9559 2.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6087 4.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9565 3.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2391 2.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5540 3.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2067 1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 6 1 0 0 0 0 + 3 4 2 0 0 0 0 + 3 5 1 0 0 0 0 + 6 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 9 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/leucine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,24 @@ +Lysine + CDK 1/19/10,16:22 + + 10 9 0 0 0 0 0 0 0 0999 V2000 + 0.3874 1.6429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.3832 3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6801 3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9179 3.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9813 3.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6759 5.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2148 3.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5160 3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8129 3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.1140 3.8747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/lysine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,22 @@ +Methionine + CDK 1/19/10,16:22 + + 9 8 0 0 0 0 0 0 0 0999 V2000 + -0.0023 2.0760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0357 3.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3533 4.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6329 3.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3913 5.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2439 4.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5616 3.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8412 4.4239 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1588 3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 6 1 0 0 0 0 + 3 4 2 0 0 0 0 + 3 5 1 0 0 0 0 + 6 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/methionine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,22 @@ +L-Ornithine + CDK 2/11/10,12:47 + + 9 8 0 0 0 0 0 0 0 0999 V2000 + -3.8250 -4.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5259 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2269 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5259 -2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2269 -6.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0722 -4.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8250 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8250 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1240 0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 1 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/ornithine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,29 @@ +Phenylalanine + CDK 1/19/10,16:23 + + 12 12 0 0 0 0 0 0 0 0999 V2000 + 2.2153 -2.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2111 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5080 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9099 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8091 -0.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5038 1.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3870 -0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6881 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9851 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9809 -2.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6797 -3.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3828 -2.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 12 7 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/phenylalanine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,23 @@ +Proline + CDK 1/19/10,16:23 + + 9 9 0 0 0 0 0 0 0 0999 V2000 + -0.4080 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7902 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7715 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9957 -1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5350 -1.3872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0651 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0269 1.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0464 0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5570 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 5 1 1 0 0 0 0 + 1 6 1 0 0 0 0 + 1 7 1 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 6 8 1 0 0 0 0 + 6 9 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/proline.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,18 @@ +Serine + CDK 1/19/10,16:24 + + 7 6 0 0 0 0 0 0 0 0999 V2000 + -1.9597 0.6244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2116 1.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2884 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9634 3.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0403 0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0366 3.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4634 3.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/serine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,20 @@ +Threonine + CDK 1/19/10,16:24 + + 8 7 0 0 0 0 0 0 0 0999 V2000 + -0.4060 0.0741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4102 1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8867 2.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7113 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1879 1.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8825 3.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0083 1.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7155 3.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 4 8 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/threonine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,36 @@ +Tryptophan + CDK 1/19/10,16:25 + + 15 16 0 0 0 0 0 0 0 0999 V2000 + 2.8093 -1.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.8356 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1476 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5500 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.4333 -0.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1739 1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2380 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1214 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1445 -0.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0550 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4174 -2.1895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6061 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0445 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0214 1.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5599 1.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 10 2 0 0 0 0 + 8 9 1 0 0 0 0 + 15 8 2 0 0 0 0 + 9 11 1 0 0 0 0 + 9 12 2 0 0 0 0 + 11 10 1 0 0 0 0 + 12 13 1 0 0 0 0 + 13 14 2 0 0 0 0 + 14 15 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tryptophan.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,31 @@ +Tyrosine + CDK 1/19/10,16:26 + + 13 13 0 0 0 0 0 0 0 0999 V2000 + 0.9092 -2.7648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6816 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1814 -1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9543 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9087 -2.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9538 -0.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5455 -0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2729 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7726 1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5451 -0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8177 -1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3179 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0448 -0.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 3 5 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 12 7 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 + 10 11 1 0 0 0 0 + 10 13 1 0 0 0 0 + 11 12 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/tyrosine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,20 @@ +Valine + CDK 1/19/10,16:26 + + 8 7 0 0 0 0 0 0 0 0999 V2000 + -0.8119 0.8028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7880 2.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5229 3.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8098 2.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5468 4.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0749 3.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3857 2.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0510 4.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 6 1 0 0 0 0 + 3 4 2 0 0 0 0 + 3 5 1 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Amino_Acids/valine.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,18 @@ +Alloc + CDK 2/11/10,13:24 + + 7 6 0 0 0 0 0 0 0 0999 V2000 + 2.5788 0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0122 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6980 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9066 2.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2809 1.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2868 0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5446 0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 3 4 2 0 0 0 0 + 3 5 1 0 0 0 0 + 2 6 1 0 0 0 0 + 6 7 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/alloc.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,20 @@ +Boc + CDK 2/11/10,13:23 + + 8 7 0 0 0 0 0 0 0 0999 V2000 + -0.8515 1.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2766 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2390 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6516 3.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8335 1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2677 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5238 -0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8506 0.6301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 2 5 1 0 0 0 0 + 1 6 1 0 0 0 0 + 6 7 2 0 0 0 0 + 6 8 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/boc.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,27 @@ +Cbz + CDK 2/11/10,13:23 + + 11 11 0 0 0 0 0 0 0 0999 V2000 + 2.5788 0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0122 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4032 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6980 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9066 2.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2809 1.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7857 1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1681 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1681 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7857 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4032 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 1 4 1 0 0 0 0 + 4 5 2 0 0 0 0 + 4 6 1 0 0 0 0 + 3 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 2 0 0 0 0 + 10 11 1 0 0 0 0 + 11 3 2 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/cbz.png ___________________________________________________________________ Added: svn:mime-type + application/octet-stream Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/dmt.mol =================================================================== --- jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/dmt.mol (rev 0) +++ jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/dmt.mol 2010-02-11 16:17:50 UTC (rev 15384) @@ -0,0 +1,55 @@ +Dimethoxytrityl + CDK 2/11/10,13:26 + + 24 26 0 0 0 0 0 0 0 0999 V2000 + -0.0048 -2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3241 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3336 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3241 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3336 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6625 -2.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0048 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.3933 1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9913 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4942 2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6433 2.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4540 0.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4942 4.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8231 1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.3145 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6433 4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8231 4.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1519 2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0144 2.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.3145 5.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1519 4.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0144 4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3464 5.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6784 4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 3 1 1 0 0 0 0 + 2 4 1 0 0 0 0 + 5 3 2 0 0 0 0 + 3 6 1 0 0 0 0 + 4 7 2 0 0 0 0 + 8 4 1 0 0 0 0 + 7 5 1 0 0 0 0 + 6 9 1 0 0 0 0 + 8 10 1 0 0 0 0 + 8 11 1 0 0 0 0 + 8 12 1 0 0 0 0 + 13 10 2 0 0 0 0 + 10 14 1 0 0 0 0 + 15 11 2 0 0 0 0 + 11 16 1 0 0 0 0 + 17 13 1 0 0 0 0 + 14 18 2 0 0 0 0 + 19 15 1 0 0 0 0 + 16 20 2 0 0 0 0 + 21 17 2 0 0 0 0 + 18 21 1 0 0 0 0 + 22 19 2 0 0 0 0 + 20 22 1 0 0 0 0 + 22 23 1 0 0 0 0 + 23 24 1 0 0 0 0 +M END Added: jchempaint/branches/3_0/src/main/org/openscience/jchempaint/dialog/templates/Protecting_Groups/dmt.png =================================================================== (Binary files differ) Property changes on: jchempaint/branches/3_0/src... 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