On Jun 8, 2010, at 4:56 AM, Chris Morley wrote:
> I think this is right for v3000, for which the support is fairly
> basic. v2000 has more but is not complete, e.g. no S groups.
So far I haven't found anyone that says they support all of v3000. Then again,
I've heard that the spec isn't complete, so what OB does is what everyone else
does. I haven't yet come across a v3000 file in the wild, so it's not that
important.
> There is automatic recognition of which of several computational
> chemistry programs a .out and .log files came from.
My understanding of the format support, admittedly incomplete, is that one
specifies the format, and that's mapped to the proper shared library. There's
nothing which arbitrates which shared library to use. So I assume here you mean
there's a single shared library which understands different .out and .log files?
Cheers!
Andrew
da...@dalkescientific.com
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