Re: [Open Babel] Visual Studio 2015 C# Initialization Exception, .dll's are Obfuscated?

We need more details to help diagnose the problem. The best place to do this is over in our issue tracker at http://github.com/openbabel/issues. We'll need to know exactly what you did step by step, starting with what exactly did you download, etc. The problem could be anything unfortunately. This

[Open Babel] obfit question

Hi, I am trying to align 2 molecules with obfit based on a pharmacaphore. I am running it as: obfit 'c2c(-[#7]-[#6](-c1cccnc1)=[#8])scn2' reference.sd moving.sd > aligned.sd When I use obabel to convert from .sd to .png this is the ouput: [cid:e20d815f-f6f0-443b-afe9-aa7201cfc086] Am I in

Re: [Open Babel] obfit question

> Am I incorrectly running obfit, or am I misinterpreting what obfit does? > Thanks for any help! You're mis-interpreting what obfit does. It operates in 3D coordinates. So what you're doing is okay - but if you then generate a PNG, you've thrown away the 3D coordinates. If you want to see if

Re: [Open Babel] obfit question

Ahhh, that makes sense. Thank you for the clarification! Get Outlook for iOS From: Geoffrey Hutchison Sent: Wednesday, June 6, 2018 5:55:40 PM To: John Michael Bruning Cc: openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] obf

Re: [Open Babel] RESOLVED -- OpenBabel.openbabel_csharpPINVOKE Exception (error) in .NET

Thanks - very comprehensive. Hopefully this will be useful to point to for future .NET users. On 7 June 2018 at 01:06, Leif Peterson wrote: > RESOLVED. I got .NET working by selecting “x64” in the Build option of > .NET, because I originally installed the 64-bit version of the Windows > GUI. B

Re: [Open Babel] obfit question

Just to add, if you wish to align two depictions it's possible via the obabel executable: $ obabel tmp.smi -s "[#6]Cl blue" -O tmp.svg --align "[#6]Cl" Unfortunately, the align operation does not appear to work if not outputting to an image: $ obabel tmp.smi -O tmp.sdf --align "[#6]Cl"