at 9.49a EDT on 2003 December 07 Sunday timothy driscoll said: > hi Miguel, > > > at 3.24p EDT on 2003 December 07 Sunday Miguel Howard said: > > > >> > - Given that there are no hydrogens in the file ... How do > > >> > you calculate the 'angles' from the bonds that are present? > > >> > > >> Don't know that... > > >> > > > calculate the position of the hydrogen on the donor. > > OK ... how? > > > working... >
is this useful? <http://cdk.sourceforge.net/api/org/openscience/cdk/tools/HydrogenAdder.html> it is already a part of the cdk package from openscience, if that makes a difference. regards, :tim -- timothy driscoll molvisions - molecular graphics & visualization <http://www.molvisions.com/> usa:north carolina:wake forest ------------------------------------------------------- This SF.net email is sponsored by: IBM Linux Tutorials. Become an expert in LINUX or just sharpen your skills. Sign up for IBM's Free Linux Tutorials. Learn everything from the bash shell to sys admin. Click now! http://ads.osdn.com/?ad_id=1278&alloc_id=3371&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
