Hi,
On Mar 17, 2011, at 5:21 AM, Chris Morley wrote:
> It was added because Andrew Dalke requested it, although at the
> moment I
> can't find where.
Perhaps it was from
On Nov 11, 2010, at 5:28 AM, Andrew Dalke wrote:
> 10) Shouldn't the molecular formula for "[NH4+]" include
> the total formal charge?
This likely came from some work I did to verify that OpenBabel and
OEChem produced the same molecular formulas.
> For small molecules at least, you would never use a string formula
> without the charge: I eat Cl- every day, and is of no concern to
> stratospheric ozone; not so for Cl ;-)
Mmmm, I like Cl- too ... but usually mixed with a bit of Na+!
Andrew
da...@dalkescientific.com
------------------------------------------------------------------------------
Enable your software for Intel(R) Active Management Technology to meet the
growing manageability and security demands of your customers. Businesses
are taking advantage of Intel(R) vPro (TM) technology - will your software
be a part of the solution? Download the Intel(R) Manageability Checker
today! http://p.sf.net/sfu/intel-dev2devmar
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
