On Nov 6, 2010, at 9:33 PM, Chris Morley wrote:
> The data file with corrected data is attached and can just replace the
> original in OpenBabel v2.3.0 and earlier.
This raises an interesting problem in my fingerprint generation tool.
I have a version string which looks like
OpenBabel-MACCS/1
The idea is that tools can do a string comparison of the version fields of two
data sets and figure out if they are compatible. With this change I can bump up
the version number to
OpenBabel-MACCS/2
and I can autodetect the environment by doing a simple fingerprint generation
and test for certain bits.
However, it would be nice if there was a way to query the fingerprint plugin to
get a unique version number for it.
I'm also curious - is there a programmatic way from Python to get the list of
available fingerprint plugins, and figure out how many bits they generate? For
example, I don't see any way to find that FP2 generates 1021 bits.
Andrew
da...@dalkescientific.com
------------------------------------------------------------------------------
The Next 800 Companies to Lead America's Growth: New Video Whitepaper
David G. Thomson, author of the best-selling book "Blueprint to a
Billion" shares his insights and actions to help propel your
business during the next growth cycle. Listen Now!
http://p.sf.net/sfu/SAP-dev2dev
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
