FYI - the bug below is also exhibited by RDKit. ---------- Forwarded message ---------- From: Steve Constable <[email protected]> Date: 2008/5/1 Subject: [Open Babel] Hydrogen adder error? To: [email protected]
Hello, I'm working with openbabel 2.1.1, and I'm having an issue with the OBMol::AddHydrogens function. I have the structure of guandinie ( N=C(N)N ). when I run babel with the -h option, everything looks good. However, if I change to the charged version, [N+]=C(N)N the additional hydrogen required is not added. Opening the structures in jmol shows that they look exactly the same. Is this something that has been fixed in SVN already? Thanks, Steve ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
