> I was planning to just make the whole keywords a OBGenericData stored in
> OBMol. For molecular specification section I plan to only read coordinates
> and connectivity, if they are present, since those are enough to build a
> molecule. Is this reasonable?
There's some support already for wr
I was planning to just make the whole keywords a OBGenericData stored in
OBMol. For molecular specification section I plan to only read coordinates
and connectivity, if they are present, since those are enough to build a
molecule. Is this reasonable?
Xianghai
On Sun, Oct 8, 2017 at 1:00 PM, David
> I noticed that gaussian input file (.com, .gjf) is not a readable format by
> openbabel. I personally need this functionality quite a bit. Is this left out
> intentionally? If not, I can add a new plugin for reading this format.
If you're interested in attempting this, I'd be happy to give you
On 06/10/17 23:26, Xianghai Sheng wrote:
Hi,
I noticed that gaussian input file (.com, .gjf) is not a readable format
by openbabel. I personally need this functionality quite a bit. Is this
left out intentionally? If not, I can add a new plugin for reading this
format. Since there exists a ga
