chem-bla-ics
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  • Aug 5, 2009

    JChemPaint-Primary being picked up...

    Backporting the JChemPaint-Primary patch for master to the cdk-1.2.x branch turned out to be fairly easy, but is a major step forward as we now have a patch to extend CDK 1.2.x with rendering support again, a major thing we lost when going from the CDK 1.0 to the 1.2 series.

    less than 1 minute read
  • Jul 31, 2009

    Maintaining the JChemPaint-Primary patch

    Not so long ago, I finished porting the JChemPaint-Primary branch to be a patch on top of CDK master from our git repository. This means frequent rebasing, to incorporate the latest changes in the CDK master branch. Today, I did such a rebase, after the CDK 1.3.0 release. Hoping that at least some find this informative, this is what I did. Remember, that the patch is organized around the render and control modules, which is why we have so many branches, while merely in linear relationship.

    1 minute read
  • Jul 31, 2009

    Things to check before you consider submitting a (final) CDK patch #1

    Mark the final in the above title; if you merely seek advice on your patch, feel free to send them in whatever state. However, if you bring up your patch for peer review, make sure to have gone through the following steps, in random order:

    1 minute read
  • Jul 31, 2009

    New Blogs #11

    Not that the last two weeks has seen a boost on blog submissions to Chemical blogspace; just that I was not really finished with New Blogs #10.

    less than 1 minute read
  • Jul 23, 2009

    New Blogs #10

    Many new blogs have appeared in Chemical blogspace since New Blogs #9. I should really make these overviews more often (I left out the new blogs which have not blogged in 2009 yet):

    less than 1 minute read
  • Jul 20, 2009

    Updating my bioclipse.qsar fork with Ola's main branch

    GitHub makes forking cheap, and I have a fork of the bioclipse.qsar repository (see Bioclipse moving to GitHub: CIA hooks enabled), so that I can easily share my patches with Ola for review. Ola can review them and apply them back into his main version.

    less than 1 minute read
  • Jul 17, 2009

    ELN vendor: "The Open Source stuff just works better"

    Simon Coles is CTO of Amphora Research Systems (a company I do not know) and in the business of Electronic Lab Notebooks. I know nothing about their products but would like to propagate the statements he just made on Open Source in reply to a question on LinkedIn (btw, my LinkedIn account):

    less than 1 minute read
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  • Egon Willighagen
  • 0000-0001-7542-0286

Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.