One feature request, it would be nice if I open a mol2 and then save that
molecule as mol2, it would remember the atom types and charges. No need for
assignment, just remember what the user read in.
-David
On Thu, Sep 19, 2013 at 1:03 PM, Thomas Holder <
thomas.hol...@schrodinger.com> wrote:
>
I would like to create a module for pymol which accepts several
selections for processing. The number of selections passed to the
modules is not fixed and thus I want to pass a list of selections into
the applications. I have tried something like the following.
from pymol import cmd, stored, Cm
Could you just initialize your helix class with the object at the time of
creation? Also why are you passing the superclass object to Helix?
> class Helix():
> def __init__(self,selection):
> self.selection = selection
>
> def my_module(*selections):
> helices = [Helix(x) for x i
For some reason David, you have to pass the **kwargs keyword list too. I'm not
sure why but this worked for me,
python
from pymol import cmd, stored, CmdException
class Helix():
def __init__(self,selection):
self.selection = selection
def my_module(*args,**kwargs):
helices = [He
