On Fri, Nov 8, 2013 at 8:57 AM, Scott McKechnie wrote:
> Thanks for the reply. I used sdf:
>
> obabel -:'P#P' -osdf > P2.sdf --gen3d
>
When I do this, I get a molecule with four hydrogens, not two. However, I
still think it's wrong. The SMILES specification says that the "normal
valence" for p
Hi Craig,
Thanks for the reply. I used sdf:
obabel -:'P#P' -osdf > P2.sdf --gen3d
Best wishes,
Scott
On 8 November 2013 15:17, Craig James wrote:
> On Fri, Nov 8, 2013 at 3:52 AM, scott_m wrote:
>
>> Hi all,
>>
>> When I use gen3d with P#P I get a molecule with two hydrogens. Should it
>>
On Fri, Nov 8, 2013 at 3:52 AM, scott_m wrote:
> Hi all,
>
> When I use gen3d with P#P I get a molecule with two hydrogens. Should it
> not
> be the diphosphorus molecule with chemical formula P2? Using [P]#[P]
> produces the desired result but I wanted to find out why gen3d does this.
>
Differe
Hi all,
When I use gen3d with P#P I get a molecule with two hydrogens. Should it not
be the diphosphorus molecule with chemical formula P2? Using [P]#[P]
produces the desired result but I wanted to find out why gen3d does this.
Best wishes,
Scott
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