Re: [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers)

2011-03-13 Thread Noel O'Boyle
Yes it will. On 13 March 2011 20:45, JP wrote: > Will it be included in 2.3.1 ? > > (I've found another way to do it -- not with openbabel) > > > On 12 March 2011 18:25, Noel O'Boyle wrote: >> >> Oops - you're right. OBAlign wasn't exposed in the Python bindings in >> OB 2.3.0. I see that I adde

Re: [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers)

2011-03-13 Thread JP
Will it be included in 2.3.1 ? (I've found another way to do it -- not with openbabel) On 12 March 2011 18:25, Noel O'Boyle wrote: > Oops - you're right. OBAlign wasn't exposed in the Python bindings in > OB 2.3.0. I see that I added support on Nov 4 so you'll have to try > the development ver