[chimera-dev] Get Molecule Index in Model Panel

Eric Pettersen pett at cgl.ucsf.edu
Thu Feb 27 16:35:15 PST 2020


Hi Pablo,
	The “model IDs” aren't even necessarily integers, for instance the model ID of the first member of an NMR ensemble is 0.1 .  The easiest way to get the atom spec you are trying to generate is to call str() on the model.  For instance if m is a variable holding model 0, then str(m) returns “#0”.  So your indexes.append() call becomes:

	indexes.append(str(molecule))

and you don’t even need to use enumerate().

—Eric

	Eric Pettersen
	UCSF Computer Graphics Lab



> On Feb 27, 2020, at 4:27 AM, Pablo Solar Rodríguez <pablosolar.r at gmail.com> wrote:
> 
> Hello all, 
> 
> Optimizing my plugin, I need to hide atoms and show ribbons for some opened Molecules.
> 
> What I am trying is to loop over opened molecules in the ModelPanel and, If the Molecule matches a specific tag, save its index in a indexes list. Then, hide atoms and show ribbons by makeCommand with the indexes:
> 
> def adjust_visualization(self, final_pdbs):
>     """
>     Adjust atoms and ribbons visualization for FitOpt final solutions
>     """
>     indexes = []
>     chimera.openModels.add(final_pdbs)
>     molecule_list = om.list(modelTypes=[Molecule])
> 
>     for index, molecule in enumerate(molecule_list):
>         if self.fitopt_tag in molecule.name <http://molecule.name/>:
>             indexes.append('#' + str(index))
> 
>     makeCommand(' '.join(['~show', ' '.join(indexes)]))
>     makeCommand(' '.join(['ribbon', ' '.join(indexes)]))
> 
> It seems that the index from enumerate is not corresponding to the index in the ModelPanel so how could I get the proper molecule index??
> 
> Thank you all in advance!
> 
> Regards!!
> 
> 
> Pablo Solar Rodríguez
> 
> 
> 
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