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Commits on Aug 4, 2015

• Store canonical SMILES of monomer.

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  johnmay

  committed
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Commits on Apr 23, 2015

• remove invalid HELM example to avoid confusion

  TianhongZhang

  committed
  1361c8d

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Commits on Mar 20, 2015

• publish HELMNotationToolkit-1.2 jar and javadoc

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  TianhongZhang

  committed
  3841ebc

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• fix Hiv structure

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  TianhongZhang

  committed
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Commits on Dec 4, 2014

• add R3 group to dK, which was missing

  TianhongZhang

  committed
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Commits on Nov 14, 2014

• handle thiol amine and thiol carboxylic acid fragements in peptide structure, used to be duplicate R3 assignment

  TianhongZhang

  committed
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Commits on Oct 12, 2014

• refactor PeptideStructureParser with support for inline HELM notation and additional support for CHEMBL peptide dataset

  TianhongZhang

  committed
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Commits on Jun 28, 2014

• organize files for 1.1 release

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  TianhongZhang

  committed
  86e85a7

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• Merge pull request PistoiaHELM#3 from MarkusWeisser/master

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  TianhongZhang

  committed
  92e2e88

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Commits on Jun 16, 2014

• Merge pull request #10 from MarkusWeisser/exchangeablehelm

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  MarkusWeisser

  committed
  36ade36

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• Formatted source

  maisel

  committed
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• Test Formating with NetBeans

  

  maisel

  committed
  7d3e31b

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Commits on Jun 10, 2014

• SimpleParser supports import of multicomponent monomers

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  maisel

  committed
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Commits on Jun 5, 2014

• getNaturalAnalog now works with inline smiles ( XHELM-69)

  

  maisel

  committed
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Commits on Jun 4, 2014

• Fixed an error that occured when importing an xHelm with a chem inline

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  maisel

  committed
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Commits on May 30, 2014

• Merge pull request #9 from MarkusWeisser/exchangeablehelm

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  MarkusWeisser

  committed
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Commits on May 26, 2014

• Fixed unit test error

  

  maisel

  committed
  234d170

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• Fixed unit test errors (A6P,CovX-3,PEG3 are not in loc DB)

  

  maisel

  committed
  2341129

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Commits on May 22, 2014

• Merge pull request #8 from MarkusWeisser/exchangeablehelm

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  MarkusWeisser

  committed
  ed883b9

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Commits on May 21, 2014

• additional validity check for smiles code before adding adhoc monomer

  

  maisel

  committed
  901d364

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• revert changes

  

  maisel

  committed
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• new overload for standardize and getComplexNotation

  

  maisel

  committed
  76aee5b

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• new test for parsing xHelm with inline Smiles

  

  maisel

  committed
  e35593d

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• Import xHelm with Inline Smiles in RNA (missing store parameter)

  

  maisel

  committed
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Commits on May 20, 2014

• parse helm notations with inline smiles in RNA (branch and backbone

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  maisel

  committed
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Commits on May 14, 2014

• Auto assign Dynamic as name for adhoc monomers (XHELM-58)

  

  maisel

  committed
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• new function in monomerstore that returns a list of all monomers

  

  maisel

  committed
  90f08be

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Commits on May 13, 2014

• smilesMap now saves the an unique extended smiles without

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  maisel

  committed
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Commits on May 12, 2014

• Added some java doc

  

  maisel

  committed
  a3de893

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Commits on May 7, 2014

• Merge pull request #7 from MarkusWeisser/exchangeablehelm

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  MarkusWeisser

  committed
  052cb90

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• added some documentation

  

  maisel

  committed
  67c17c5

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Commits on May 5, 2014

• getNucleotideList can also deal with bases as inline smiles

  

  maisel

  committed
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Commits on Apr 29, 2014

• InlineSmiles in RNA-Part of Helm Notation working (so far only

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  maisel

  committed
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Commits on Apr 23, 2014

• Merge pull request PistoiaHELM#6 from MarkusWeisser/exchangeablehelm

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  MarkusWeisser

  committed
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Commits on Apr 22, 2014

• bug fix for old monomer registration process

  

  maisel

  committed
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