{ "version": "https://jsonfeed.org/version/1.1", "title": "chem-bla-ics", "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.", "home_page_url": "https://chem-bla-ics.linkedchemistry.info/", "feed_url": "https://chem-bla-ics.linkedchemistry.info/2005/12/03/about-jchempaints-future-and-todays.json", "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png", "language": "en", "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286", "_orcid": "0000-0001-7542-0286" } ], "items": [ { "id": "https://doi.org/10.59350/v0a2f-hfk94", "url": "https://chem-bla-ics.linkedchemistry.info/2005/12/03/about-jchempaints-future-and-todays.html", "title": "About JChemPaint's future and todays 2.1.5 release", "content_html": "

Stefan has done an excellent debugging week on JChemPaint, while I have been late with a\n2.1 release. Anyway, I’ve just uploaded a Java 1.4 compiled JChemPaint 2.1 series release. I was told the (reported) bug\ncount is down to one, so I expect to see the next stable branch to be released soon (2.2 series).

\n\n

But what after JChemPaint 2.2 gets released? Will a 2.3 developers branch be opened? Or will the JChemPaint application,\nas we know it, cease to exist, and make place for the Bioclipse\nJChemPaint plugin, that is being worked on?

\n\n

It is worth mentioning the pros and cons of JChemPaint. One big pro is the applet version of JChemPaint, though free but\nclosed source alternatives are available (e.g. MarvinSketch).\nAnother advantage is the great semantics of the chemistry being drawn. For example, when drawing reactions, reactants are\nreally marked as reactants, and are not just molecules left of an arrow. Moreover, JChemPaint is a great platform in which\nideas can be tested! One of the key virtues of opensourceness. Cons include the limited amount of templates, print quality\ngraphics, and others. (Comments on JChemPaint most welcomed.)

\n\n

So what about this Bioclipse then? It is inheritently SWT based, but currently the\nSWT_AWT\nbridge is used to embed to current JChemPaint and underlying CDK code as is. Unfortunately,\nthis bridge is using proprietary code from Sun\n(sun.awt classes), which makes it impossible to use with free virtual machines.

\n\n

But there is also the option of using the SWT drawing classes. This has the advantage that it can be run with free virtual\nmachines, and that it can even be compiled to native code. It requires serious rewriting of code in the JChemPaint and\nCDK code base. But, CDK’s Renderer2D needs a\nrewrite anyway: it does not even use Swing’s Java2D efficiently (try to figure out how it transforms atomic 2D coordinates into\nscreen coordinates!). Some efforts have been ongoing, but a rewrite from scratch, with a better, more modular, design cannot\nhurd at all.

", "summary": "Stefan has done an excellent debugging week on JChemPaint, while I have been late with a 2.1 release. Anyway, I’ve just uploaded a Java 1.4 compiled JChemPaint 2.1 series release. I was told the (reported) bug count is down to one, so I expect to see the next stable branch to be released soon (2.2 series).", "date_published": "2005-12-03T00:00:00+00:00", "date_modified": "2005-12-03T00:00:00+00:00", "tags": ["jchempaint","cdk","bioclipse"], "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ] } ] }