I could be wrong, and regretfully I'm not at my normal machine to check,
but Rubabel, a ruby wrapper for open babel, has a lot of logic to integrate
all representations for molecules internally. I know it takes in SMARTS
strings, and I would not be surprised if it outputs them. If it does not,
it w
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
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
