On 11/10/2015 05:23 PM, Maciek Wójcikowski wrote:
> Hi Filip,
>
> OBMol has a Separate method, which does exactly what you'd
> like.
> http://openbabel.org/dev-api/classOpenBabel_1_1OBMol.shtml#a1e5c6955a32c0ec2317a8de12ab7ba5a
>
> import pybel
> mol = pybel.readfile('mol2',
Hi Filip,
OBMol has a Separate method, which does exactly what you'd like.
http://openbabel.org/dev-api/classOpenBabel_1_1OBMol.shtml#a1e5c6955a32c0ec2317a8de12ab7ba5a
import pybel
> mol = pybel.readfile('mol2', 'ligand.mol2').next()
> for m in mol.OBMol.Separate():
> print m
Note that m
Hi,
I have a mol2 file:
https://gist.github.com/filipsPL/0b936f4d416bdc45ebea
There are three apparently separate molecules inside. But I'm not able
to separate them. obabel -m doesn't solve the problem.
I've tried to do it in python with pybel, but I don't know how to
exactly code it (it is not
