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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