[chimera-dev] Get Molecule Index in Model Panel

[Eric Pettersen]

You’re welcome!  Glad I could help.

—Eric

> On Feb 27, 2020, at 10:38 PM, Pablo Solar Rodríguez <pablosolar.r at gmail.com> wrote:
> 
> Wow, so easy! Thank you so much!!
> 
> El vie., 28 feb. 2020 a las 1:35, Eric Pettersen (<pett at cgl.ucsf.edu <mailto:pett at cgl.ucsf.edu>>) escribió:
> 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 <mailto: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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> 
> 
> 
> -- 
> 
> Pablo Solar Rodríguez
> 
> pablosolar.r at gmail.com <mailto:pablosolar.r at gmail.com>
> 
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