Re: [OpenBabel-Devel] 2D SVG depiction

2009-11-23 Thread Chris Morley
Geoffrey Hutchison wrote: >> In this code OBDepict draws the molecule and an abstract class >> OBPainter does the rendering. There are three derived classes, all of >> which use an external library for the graphics. > > Do we need to add Cmake tests for the external libraries? I assume "yes." T

Re: [OpenBabel-Devel] 2D SVG depiction

2009-11-23 Thread Geoffrey Hutchison
> http://www.chemaxon.com/marvin/examples/applets/sketch/rightName.abbrevgroup > There is also superatom.txt file which comes with OSRA of course :) I think Chris already borrowed superatom.txt. :-) Thanks for the pointer to the Marvin list. I think I can probably adapt the ChemDraw list based o

Re: [OpenBabel-Devel] 2D SVG depiction

2009-11-23 Thread Igor Filippov
http://www.chemaxon.com/marvin/examples/applets/sketch/rightName.abbrevgroup There is also superatom.txt file which comes with OSRA of course :) Igor On Mon, 2009-11-23 at 13:25 -0500, Geoffrey Hutchison wrote: > Chris, > > First off, this is great. Thanks to both you and Tim. (I hear he's bee

Re: [OpenBabel-Devel] 2D SVG depiction

2009-11-23 Thread Geoffrey Hutchison
Chris, First off, this is great. Thanks to both you and Tim. (I hear he's been working on a 2D editor using Open Babel.) > In this code OBDepict draws the molecule and an abstract class > OBPainter does the rendering. There are three derived classes, all of > which use an external library for

Re: [OpenBabel-Devel] 2D SVG depiction

2009-11-23 Thread Noel O'Boyle
2009/11/23 Chris Morley : > I forgot to say that there is an example output file from svgformat at > http://gaseq.co.uk/OB/49mols.xml > These are 49 of Noel's depiction test set, > http://publishious.org/site_media/blog/dataset.sdf.gz, using the > original coordinates. > > (The file is .xml rather

Re: [OpenBabel-Devel] 2D SVG depiction

2009-11-23 Thread Chris Morley
I forgot to say that there is an example output file from svgformat at http://gaseq.co.uk/OB/49mols.xml These are 49 of Noel's depiction test set, http://publishious.org/site_media/blog/dataset.sdf.gz, using the original coordinates. (The file is .xml rather than .svg otherwise it was not served