Hey,
I have a question regarding the available valence of Nitrogen. It seems
only 3 is available in the default setting (atomic_data.cpp). Why is it
kept to only 3, and not extended to include 4 and 5? If I change it locally
to include 4 and 5, will it cause any problems?
I am aware that I could
and...@gmail.com>
wrote:
>
>
> On Thu, May 11, 2017 at 4:24 PM, Yuran Wang <wangyuran...@gmail.com>
> wrote:
>
>> I have a question regarding the available valence of Nitrogen. It seems
>> only 3 is available in the default setting (atomic_data.cpp). Why is it
>>
gt; On Thu, May 11, 2017 at 11:02 AM, Yuran Wang <wangyuran...@gmail.com>
> wrote:
>
>> Dear Greg,
>> Thank you very much for the suggestions. It works for me!
>> Here is the SMILES of one molecule that I am looking
>> at: N=N(C)(C)CC(CN1N=CN=C1)(O)C2=C(C=C(C=C2)F
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