Re: [Open Babel] Type error when using Python API to OBReaction

Hi Noel, Thanks! I appreciate it. I will take a look tomorrow as well. - Lee-Ping On Aug 23, 2013, at 12:26 PM, Noel O'Boyle wrote: > Looks like a SWIG wrapping issue. > > If you are compiling the bindings yourself, adding: > %include > ...close to the start of the openbabel-python.i file m

Re: [Open Babel] Addition of hydrogens to ligands

(forwarding to the list) On 25 August 2013 06:05, Morency, Louis-Philippe wrote: > Excellent question you asked. I'm trying to convince my colleagues to drop > the pdb format in favor of the mol2 format but, actually, we use the pdb > format as output in a molecular docking software we develop