On 06/15/2017 01:14 PM, Brian Kelley wrote:
> Sorry to hear about the flooding.

>> Unfortunately we got flooded day before yesterday and the servers doing
>> the crunching are currently down.

I should have mentioned that the server (URL is in the article), which
I'll hopefully get back up today, will output a MOL file with atoms
ordered as per the article.

The downside is it only works on 3D MOLs.

Dimitri Maziuk
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu

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