That depends on what you mean by tetrahedral chirality?
If you're talking about the result returned by the atom.GetChiralTag()
method, then no. Making changes to bond directions or types should not
affect it. The one caveat here is that if you change a bond in such a way
that you remove the chirality of the center and then re-perceive chirality,
the chiral tag on the atom will be removed.
If you mean the R or S label of an atom, then this kind of change can
absolutely make a difference. Here's an example:
In [3]: AllChem.FindMolChiralCenters(Chem.MolFromSmiles('C[C@H
](/C=C/Cl)/C=C\\Cl'))
Out[3]: [(1, 'R')]
In [4]: AllChem.FindMolChiralCenters(Chem.MolFromSmiles('C[C@H
](/C=C/Cl)/C=C/Cl'))
Out[4]: []
In [5]: AllChem.FindMolChiralCenters(Chem.MolFromSmiles('C[C@H
](/C=C\\Cl)/C=C/Cl'))
Out[5]: [(1, 'S')]
Note that you would have to re-perceive chirality after making the change
to see the effect.
-greg
On Thu, Jul 18, 2013 at 10:19 PM, Syeda Sabrina <[email protected]> wrote:
> Also, can SetBondType() can affect the tetrahedral chirality of atom?
>
> *Syeda Sabrina*
> *Graduate Assistant*
> *Department of Chemical Engineering, Penn State University*
> *University Park, PA*
> *
> *
>
>
> On Thu, Jul 18, 2013 at 10:11 PM, Syeda Sabrina <[email protected]>wrote:
>
>> Hi everyone,
>>
>> Is there any reason that setting bond directions of a molecule using
>> SetBondDir() for each bond in the molecule can affect tetrahedral
>> chirality of its atom?
>>
>>
>>
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