[Open Babel] Why Openbabel output non-standard MDL Molfile (SDF) format?

2009-11-14 Thread Charlie Zhu
Hi, When I tried to reading SDF file generated by Openbabel errors are encountered. According to Openbabel's wiki this format is following the specification of Symyx CTFile at http://www.symyx.com/downloads/public/ctfile/ctfile.jsp. But I have observed it does not. The differences are length of at

[Open Babel] Fwd: Is RXN format is still supported

2009-11-12 Thread Charlie Zhu
exported by Chemdraw 8.0. Thank you. Charlie On Wed, Nov 11, 2009 at 11:03 PM, Chris Morley wrote: > Charlie Zhu wrote: > > > I have tested a few RXN files on Openbabel GUI on Windows but 0 result > > has been output. One of the RXN file is attached. > > I temporarily have to

[Open Babel] Is RXN format is still supported

2009-11-10 Thread Charlie Zhu
Hi, I have tested a few RXN files on Openbabel GUI on Windows but 0 result has been output. One of the RXN file is attached. I temporarily have to use Regexp to parse the RXN format to SDF as C# code as pasted below. It is even not trusted by myself. f = Regex.Replace(f, "\\$RXN(.