Specifying the writefile as *.png works just great, thanks. As far as
writing to a string and converting this into a picture without an
intervening file, this is very confusing to me. I assume I would use
image.fromstream() somehow, but I don't know how to create a stream from a
string. If you could give me some example code for this in any language,
that would help a lot. I'm a chemist trying to program, not the other way
around, and certainly appreciate your help.
On Thu, Jun 13, 2013 at 1:35 PM, Noel O'Boyle <[email protected]> wrote:
> The filename is independent of the format. You can specify the png2
> format and use .png as the file name. There's no need to write to a
> file at all though. Why not just use WriteString, and get it into the
> picturebox somehow. I do something similar in Python.
>
> - Noel
>
> On 13 June 2013 21:26, Matt Berlin <[email protected]> wrote:
> > Both of these work just fine. By the command line, the tmp.png is
> generated,
> > and I can generate the png2 using VB.NET. I cannot load a png2 into a
> > picturebox, but I am able to rename the file as .png and load it as a
> > workaround, but this is a bit awkward.
> >
> >
> > On Thu, Jun 13, 2013 at 1:25 AM, Noel O'Boyle <[email protected]>
> wrote:
> >>
> >> Are you running on top of the official OB 2.3.2 Windows release? Does
> >> png generation work at the command-line using obabel? (obabel -:CCC -O
> >> tmp.png)
> >>
> >> How about using the "_png2" format instead of "png"?
> >>
> >> - Noel
> >>
> >> On 12 June 2013 23:31, Matt Berlin <[email protected]> wrote:
> >> > So the example where you print the MW from SMILES worked just fine. As
> >> > does
> >> > the following:
> >> >
> >> > Dim OBConv As New OBConversion()
> >> > Dim Mol As New OBMol()
> >> >
> >> > OBConv.SetInAndOutFormats("smi", "svg")
> >> > OBConv.ReadString(Mol, "CCC")
> >> > OBConv.WriteFile(Mol, "C:\output2.svg")
> >> >
> >> > If, however, the output is a png, the file is generated, but it is
> not
> >> > a
> >> > valid png file. If you change the extension to .txt and open it, it
> only
> >> > contains
> >> >
> >> > " tEXtsmiles CCC ¿ ·X"
> >> >
> >> > I've relentlessly googled it, and the only lead I have is that I might
> >> > need
> >> > a cairo library? I'd really appreciate any help getting this to work,
> >> > it's
> >> > integral to a project I'm working on. Thanks for your time.
> >> >
> >> >
> >> > On Wed, Jun 12, 2013 at 2:24 AM, Noel O'Boyle <[email protected]>
> >> > wrote:
> >> >>
> >> >> So...what exactly did and didn't work? For example, can you read a
> >> >> SMILES string and print its molecular weight?
> >> >>
> >> >> - Noel
> >> >>
> >> >>
> >> >> On 11 June 2013 23:48, Matt Berlin <[email protected]> wrote:
> >> >> > Hello,
> >> >> > I've spent a fair amount of time today trying to figure out how to
> >> >> > depict a
> >> >> > molecule as a .png using the .NET library. I'd like to be able to
> >> >> > generate
> >> >> > pictures of all the molecules in an sd file using VB.net, and can't
> >> >> > find
> >> >> > any
> >> >> > easy way to go about this. Perhaps you can recommend something?
> >> >> >
> >> >> > --Matt
> >> >> >
> >> >> >
> >> >> >
> >> >> >
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> >> >
> >> >
> >
> >
>
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