[Open Babel] retrieve bond energy

How does one retrieve the bond energy between bonds? (using the API, not the commandline tools) I know that the various forcefields calculate this, but I don't know how to access it. [I'm using the openbabel ruby bindings, which seem fairly complete] thanks for all the hard work on openbabel, J

Re: [Open Babel] SVG output from SMILES - produces NANs for line positions

Hi there Noel. Lightening fast, as usual. While we're on the topic of depiction: - A few some molecules do not render well (fused rings): c1cc2c3c(c1)c(=O)/c(=N/NC(=O)C1CC1)c3ccc2 - And few more test cases for your arsenal then (these all exhibit same NAN/Segfault behaviour highlighted previo

Re: [Open Babel] SVG output from SMILES - produces NANs for line positions

It causes a segfault on Windows. I'll file a bug... On 25 May 2012 11:09, JP wrote: > Hi there OpenBabel, > > I have mass tested the obabel 2.3.1 depiction code, and all looks > awesome with the exception of: > > obabel -:"c1cn2cc(CC(=O)NCC(NCC([O-])=O)=O)nc2s1" -O test.svg > > Any idea why this

[Open Babel] SVG output from SMILES - produces NANs for line positions

Hi there OpenBabel, I have mass tested the obabel 2.3.1 depiction code, and all looks awesome with the exception of: obabel -:"c1cn2cc(CC(=O)NCC(NCC([O-])=O)=O)nc2s1" -O test.svg Any idea why this innocuous looking molecule produces no co-ordinates in the svg file? [...snip...] Note tha