Hi Osvaldo,
Probably that's the trick, although I'd need the indices, but that's simple
enough.
The 'equivalence' one is still standing though :)
Thanks,
Tsjerk
On Tue, Oct 27, 2015 at 11:44 AM, Osvaldo Martin <aloctavo...@gmail.com>
wrote:
> So, you want to know the best way to do this?
>
> Z = [at_x for at_x in X for at_y in Y if at_x.id == at_y.id]
>
> Or am I still not getting it right?
>
> Cheers,
> Osvaldo.
>
> On Tue, Oct 27, 2015 at 10:56 AM, Tsjerk Wassenaar <tsje...@gmail.com>
> wrote:
>
> Hi Osvaldo,
>>
>> I could have been more clear I guess. First of all, let's say I have
>> obtained the atom list of a selection:
>>
>> X = cmd.get_model(selection1).atom
>>
>> I'm doing stuff with that (PCA, to be exact), but now I want to display
>> the result only for a subselection. Probably getting the intersection of
>> the selections and then check which atoms there match with the original
>> selection is an approach. The question there is what the best way is for
>> checking identity of the atoms.
>>
>> The second issue is when there is no intersection of the selections, but
>> there may be correspondence, as in alignment.
>>
>> Thanks for thinking along,
>>
>> Tsjerk
>>
>> On Tue, Oct 27, 2015 at 10:44 AM, Osvaldo Martin <aloctavo...@gmail.com>
>> wrote:
>>
>>> Hi Tsjerk,
>>>
>>> Do you mean something like this?
>>>
>>> cmd.index("sel_1 and sel_2")
>>>
>>> I do not get the differences between your two cases. Whats the
>>> difference between “atoms which are both in selection 1 and 2” and
>>> “matching atoms in the two selections”
>>>
>>> Cheers,
>>>
>>> Osvaldo.
>>>
>>> On Mon, Oct 26, 2015 at 10:33 AM, Tsjerk Wassenaar <tsje...@gmail.com>
>>> wrote:
>>>
>>>
>>>> Hi Thomas e.a.,
>>>>
>>>> Given two selections, would there be an easy way to
>>>>
>>>> 1. find the atoms which are both in selection 1 and 2, and the indices
>>>> of those in the selections
>>>>
>>>> and
>>>>
>>>> 2. find the matching atoms in the two selections, like align does, and
>>>> the indices of those in the selections
>>>>
>>>> Thanks,
>>>>
>>>> Tsjerk
>>>>
>>>> --
>>>> Tsjerk A. Wassenaar, Ph.D.
>>>>
>>>>
>>>>
>>>> ------------------------------------------------------------------------------
>>>>
>>>> _______________________________________________
>>>> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
>>>> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
>>>> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>>>>
>>>
>>>
>>
>>
>>
>> --
>> Tsjerk A. Wassenaar, Ph.D.
>>
>>
>
--
Tsjerk A. Wassenaar, Ph.D.
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