Svn Log

Commit Date  
[r14579] by egonw

Only one CML schema string instance

2009-05-03 05:03:13 Tree
[r14574] by egonw

Marked functions as ASYNC

2009-04-27 13:55:58 Tree
[r14573] by egonw

Removed jar form SVN

2009-04-27 13:55:27 Tree
[r14572] by egonw

Upgraded to CDK 1.2.1

2009-04-27 13:55:11 Tree
[r14570] by egonw

Reset bond props

2009-04-25 18:03:55 Tree
[r14569] by egonw

Take into hydrogens too

2009-04-25 18:03:04 Tree
[r14568] by egonw

Set atom type name, so that the hydrogen adder actually knows which atom type it is

2009-04-25 18:02:25 Tree
[r14567] by egonw

Added two more functions: SMILES2CML and AddExplicitHydrogens

2009-04-25 06:23:38 Tree
[r14566] by egonw

Added method to generate 2D coordinates

2009-04-25 06:23:01 Tree
[r14515] by egonw

Updated schema to not use the default NS

2009-03-24 11:55:07 Tree
[r14514] by egonw

Fixed schema

2009-03-23 22:32:57 Tree
[r14513] by egonw

Cleaned up code: reuse info

2009-03-23 21:16:32 Tree
[r14512] by egonw

Removed use of Reader's, which assume certain char encoding which may not be accurate

2009-03-23 21:15:49 Tree
[r14511] by egonw

Updated CML schema to not use a default NS; optimized code a bit, by reusing information

2009-03-23 21:14:37 Tree
[r14510] by egonw

Removed use of default NS, to work around a nasty bug in one of the tools between our components and our clients (we do not know yet which one)

2009-03-23 20:50:14 Tree
[r14491] by egonw

Removed obsolete and unused folders

2009-03-13 16:16:23 Tree
[r14109] by egonw

Take rdf:Description as input, any RDF as output

2009-02-07 16:02:51 Tree
[r14108] by egonw

Added and updated tests for services being split up

2009-02-07 16:02:14 Tree
[r14107] by egonw

Added a service that takes <rdf:Description about=''>, resolves the RON InChI, and returns RDF info on the compound

2009-02-07 14:28:14 Tree
[r14106] by egonw

Split up CDK general and CDK qsar

2009-02-07 06:15:15 Tree
[r13948] by egonw

Added two more descriptors

2009-01-20 19:37:27 Tree
[r13900] by egonw

Set the proper namespace

2009-01-17 12:05:39 Tree
[r13888] by egonw

Better feedback, and fixed CML namespace

2009-01-16 18:59:46 Tree
[r13887] by egonw

Test with proper CML

2009-01-16 18:59:17 Tree
[r13884] by egonw

Valid CML: now I no longer get a 500 (bad request) error :)

2009-01-15 19:15:16 Tree
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