Re: [Open Babel] OBConversion OUTOPTIONS characters

2012-08-09 Thread Chris Morley
On 08/08/2012 20:15, Rob Smith wrote: > Is there a way (like obabel -L svg) to get the GENOPTIONS? I am > struggling to get the -s " " section to transfer > programmatically. The -s option is not part of SVGFormat and works on the internal OBMol object, so you can also see the color when it is ou

Re: [Open Babel] OBConversion OUTOPTIONS characters

2012-08-08 Thread Rob Smith
Is there a way (like obabel -L svg) to get the GENOPTIONS? I am struggling to get the -s " " section to transfer programmatically. I've tried a lot of variants, the current one being: self.obconv.add_option("s #{substructure} red",OpenBabel::OBConversion::INOPTIONS) The go

Re: [Open Babel] OBConversion OUTOPTIONS characters

2012-08-08 Thread Geoff Hutchison
> characters to complete the translation of the command line argument > for what I am trying to do: > > obabel benzodiazepine.sdf.gz -O out.svg --filter "title=3016" -s > "c1ccc2c(c1)C(=NCCN2)c3c3 red" -xu -d Keep in mind that if you're doing it programmatically, you don't use the 'x' part o

Re: [Open Babel] OBConversion OUTOPTIONS characters

2012-08-08 Thread Chris Morley
On 07/08/2012 23:02, Rob Smith wrote: > Does anyone know of a comprehensive list of the OBConversion > OUTOPTIONS characters? I am trying to extend a ruby wrapper we are > developing for openbabel, and I'm having trouble locating the correct > characters to complete the translation of the command l

Re: [Open Babel] OBConversion OUTOPTIONS characters

2012-08-07 Thread Craig James
On Tue, Aug 7, 2012 at 3:02 PM, Rob Smith <2robsm...@gmail.com> wrote: > Does anyone know of a comprehensive list of the OBConversion > OUTOPTIONS characters? This is a bit of a hack, but... for format in `babel -H | tail -n +16 | egrep -v '^[- A-Z]' | sed -e 's/ .*//'` ; do echo "---

[Open Babel] OBConversion OUTOPTIONS characters

2012-08-07 Thread Rob Smith
Does anyone know of a comprehensive list of the OBConversion OUTOPTIONS characters? I am trying to extend a ruby wrapper we are developing for openbabel, and I'm having trouble locating the correct characters to complete the translation of the command line argument for what I am trying to do: obab