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
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
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(.