Dear Tsjerk and Thomas
Thanks for the information. This important information is not
available on this page of PyMOLWiki:
https://pymolwiki.org/index.php/Selection_Algebra
I hope the page will be modified soon to include this important information.
Cheers
Vijay
On 6/3/17, Tsjerk Wassenaar <tsje...@gmail.com> wrote:
> Hi Vijay,
>
> It is logic. 'byring elem N' selects all nitrogens and then expands the
> selection to include the rings in which these participate. 'elem N and
> byring elem N' does the same, but then intersects (and) to extract only
> nitrogens. But that is the same as 'elem N'. If you want to have the
> nitrogens from rings, you can do 'elem N and byring not elem N'. That
> selects the non-nitrogen atoms and expands the selection over rings. So
> only nitrogens in rings can be added to teh selection. Then intersecting to
> get only nitrogens will yield only those that are members of rings.
>
> Hope it helps,
>
> Tsjerk
>
> On Jun 3, 2017 5:45 AM, "Vijay Masand" <vijaymas...@gmail.com> wrote:
>
>> Dear PyMOL Users,
>> I am using PyMOL 1.8.6 on Windows 10 (64 bit) with Python 2.7.12. I
>> was working with small molecule
>> (ClC1[OH+]C(Cl)=CN=C1C(=O)N([NH+]1CCC(SC1)F)CCN).
>> When I tried to select all Nitrogen atoms which are exclusively in the
>> ring only, I tried following command:
>> abc=cmd.select('byring elem N')
>> But, this selected not only Nitrogen atoms in the ring but Carbon
>> atoms of the ring also.
>> But, following command worked perfectly:
>> abc=cmd.select('elem N & byring elem N')
>> Is it a bug or something else?
>> Cheers
>> Vijay
>>
>> --
>> Assistant Professor
>> Department of Chemistry,
>> Vidya Bharati College, Amravati, 444 602
>> Maharashtra, India.
>> Phone number- +91-9403312628
>> https://sites.google.com/site/vijaymasand/
>>
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--
Assistant Professor
Department of Chemistry,
Vidya Bharati College, Amravati, 444 602
Maharashtra, India.
Phone number- +91-9403312628
https://sites.google.com/site/vijaymasand/
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