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 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 <davidgauth...@omegachem.com> wrote: > 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_csharp.dll couldn't be > found. I ended up movind the dll to my System32 folder and it seems now to > work. > > My actual problem is that my C# code seems to return 0 in every cases. I > dont't get any error message now but 0 is return, regardless of the SMILES I > put in my code. > > Here is an example of my C# code: > > using System; > using System.Collections.Generic; > using System.Linq; > using System.Web; > using System.Web.UI; > using System.Web.UI.WebControls; > using OpenBabel; > using System.Windows.Forms; > > > namespace WebAnalyticalStRom > { > public partial class Test2 : System.Web.UI.Page > { > protected void Page_Load(object sender, EventArgs e) > { > OBConversion obconv = new OBConversion(); > obconv.SetInFormat("smi"); > OBMol mol = new OBMol(); > obconv.ReadString(mol, "CCC"); > Response.Write(mol.GetExactMass().ToString()); > } > } > } > > > > Thanks for your help > > David > > -----Original Message----- > From: Noel O'Boyle [mailto:baoille...@gmail.com] > Sent: 7 décembre 2011 05:48 > To: David Gauthier > Cc: openbabel-discuss@lists.sourceforge.net > Subject: Re: [Open Babel] OBDotNet : Integration to intranet aspx web pages > ? > > 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? I note in passing that the > OB release is all 32-bit (as is the .NET assembly) which may cause > some problems if linking with 64-bit assemblies. > > It's fairly easily to point out the relevant API commands that you > need to calculate the molecular weight and so forth, but if I > understand correctly, your problem is more of a technical one...? > > - Noel > > On 6 December 2011 19:58, David Gauthier <davidgauth...@omegachem.com> > wrote: >> Sorry for the HTML. Here it is in plain text. >> >> Good morning, >> I am writing in regards to OBDotNet and the whole OpenBabel family tools. >> >> First of all, I am not a computer programmer, but since I can't find any >> help around (and couldn't find any clear answers on the web), I am taking >> the chance to writing to you. I have a master degree in chemistry and >> working and found myself climbing up the ladder at work by providing new >> informatics tools to the whole company. I developed several databases and >> doing my best to help the chemists but more importantly to use the various >> chemical information through the whole business. I started by developing > MS >> Access database; then splitted them in front and back end; I then moved my >> back end databases to SQL and recently to move my Access front end to aspx >> (C#) forms. So far, I'm pretty proud of myself but there is still some > tools >> that would like to implement and if I could, I'm sure I could provide much >> more useful tools to our company. >> >> So far, I was using ChemDraw to draw molecule and paste them in my SQL >> database. Works OK, but you'll agree that it is very limited since I'm > using >> OLE objects and databases end up pretty bulky. With my aspx (C#) forms, > and >> with the help of Peter Ertl from Novartis, was able to put his Java >> Molecular Editor to my forms and then save JME Strings and SMILES to my >> databases. However, and that is where I need help, I would like to find a >> way to write data such as Molecular Formula and Molecular Weight >> automatically when the chemists draw their molecules. Moreover, I would >> sometimes need to convert data to other formats (such as MOL, Unique > SMILES, >> and more). For all that, I'm pretty sure that OpenBabel is the tool of >> choice. I tried to use all your documentation available on the web but I >> believe that I can't go further without help. I was able to install > OBDotNet >> and run your Example.cs file (and then Example.exe file) on Dos prompt by >> following http://openbabel.org/docs/dev/UseTheLibrary/CSharp.html >> >> I am coding my aspx (C#) pages with Microsoft Visual Web Developer 2008 >> Express Edition and running on Windows XP. Is it possible to implement >> OBDotNet functions within my pages ? How can I do that ? >> >> Thank you >> >> David Gauthier >> >> >> > ---------------------------------------------------------------------------- > -- >> Cloud Services Checklist: Pricing and Packaging Optimization >> This white paper is intended to serve as a reference, checklist and point > of >> discussion for anyone considering optimizing the pricing and packaging > model >> of a cloud services business. Read Now! >> http://www.accelacomm.com/jaw/sfnl/114/51491232/ >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Cloud Services Checklist: Pricing and Packaging Optimization This white paper is intended to serve as a reference, checklist and point of discussion for anyone considering optimizing the pricing and packaging model of a cloud services business. Read Now! http://www.accelacomm.com/jaw/sfnl/114/51491232/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
