I've just commited the change. I think it works like you suggest. I
just realise I should probably add a note to that effect in the doc
string...
- Noel
On 24 September 2011 14:08, Chris Morley c.mor...@gaseq.co.uk wrote:
An InChIKeyFormat seems like a good idea for the casual user. Doing it
An InChIKeyFormat seems like a good idea for the casual user. Doing it
like InChICompareFormat would leave all the other InChIFormat options
still available on the command line for the enthusiasts, who would be
sure to ask for any options that haven't been implemented.
Chris
On 19/09/2011
Hi Chris,
What do you think about having the InChIKey available as a separate
format? It seems like it's becoming increasingly popular to merit
this.
I can make the changes, if you agree.
- Noel
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BlackBerryreg;
