[Open Babel] Converting from compound names in OpenBabel

2011-12-07 Thread Chris Morley
Reminded by a question on Blue Obelisk Exchange (http://blueobelisk.shapado.com/questions/converting-from-compound-name-to-chemical-structure), I have tweaked up some code to access the NIH Chemical Identifier Resolver from an input format in OpenBabel. There must be doubts as to whether this s

Re: [Open Babel] OpenBabel-discuss Digest, Vol 67, Issue 6

2011-12-07 Thread David Gauthier
Hi Noel, It worked !!! Actually, I'm not good enough in programming yet to understand that part ! but thanks a lot. Thanks again Your help was very much appreciated and I will then be able to push my project a little forward David -Original Message- From: openbabel-discuss-requ...@list

Re: [Open Babel] OBDotNet : Integration to intranet aspx web pages ?

2011-12-07 Thread David Gauthier
I'll give it a try Thank you David -Original Message- From: Noel O'Boyle [mailto:baoille...@gmail.com] Sent: 7 décembre 2011 10:42 To: David Gauthier Cc: openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] OBDotNet : Integration to intranet aspx web pages ? I know it's

Re: [Open Babel] OBDotNet : Integration to intranet aspx web pages ?

2011-12-07 Thread Noel O'Boyle
I know it's not very elegant, but try copying everything in the Open Babel installation folder to System32 (be careful not to overwrite anything important though!). - Noel On 7 December 2011 16:38, David Gauthier wrote: > Hi Noel, > I am building my asp.net pages with Microsoft Visual Web Develo

Re: [Open Babel] OBDotNet : Integration to intranet aspx web pages ?

2011-12-07 Thread David Gauthier
Hi Noel, I am building my asp.net pages with Microsoft Visual Web Developper 2008 Express Edition. In my C# code, I added the openbabel_csharp.dll and OBdotNet.dll into my library references. I was then able to use OpenBabel in my C# code page. My first problem (now it seems OK) was that openbabel_

Re: [Open Babel] OBDotNet : Integration to intranet aspx web pages ?

2011-12-07 Thread Noel O'Boyle
Hi David, I was hoping someone else might respond as I'm not really familiar with Asp.NET (if you have a choice, I'd recommend Django as you can access Open Babel easily from Python). What is the specific problem? Do you get an error message when you try to import the OBDotNet assembly in Asp.NET