[Cdk-devel] strange F atom types

[Rajarshi G. <rg...@in...>]

-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

I was looking at the atom type errors for F in the problematic DTP  
compounds. basically there are two atom types that are causing the  
problem:

monovalent F, with a negative charge
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi? 
db=pcsubstance&term=560530

tetravalent F
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi? 
sid=573576&loc=ec_rcs

trivalent F
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi? 
db=pcsubstance&term=548529

I'm pretty sure that the last two must be wrong. For the tetravalent  
F, one of the bonds is a double bond!


- -------------------------------------------------------------------
Rajarshi Guha  <rg...@in...>
GPG Fingerprint: D070 5427 CC5B 7938 929C  DD13 66A1 922C 51E7 9E84
- -------------------------------------------------------------------
186,282 miles per second:
	It isn't just a good idea, it's the law!


-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.8 (Darwin)

iEYEARECAAYFAkgc2wgACgkQZqGSLFHnnoSYYACbBz+q3Xt8lKZ7htj7ZJU9sWu4
RGEAnR1oxYxz0hnzLs8lBzTC5jDHALQO
=ZjHa
-----END PGP SIGNATURE-----