User 870ab5b546
30-12-2006 16:12:52
Currently, if I add or delete a bond to an atom, Marvin makes up the valence by changing the number of explicit H atoms.
It would be nice to have an option to have Marvin change the formal charge, instead. You could make the option one of the msketch parameters.
This feature would be useful when drawing reaction sequences, when bonds and charges are changing but numbers of H atoms are not.
The direction in which the formal charge changed would have to depend on the atom, of course. Electronegative atoms would have their charges decrease by 1 for each bond deleted; electropositive atoms would have their charges increase by 1 for each bond deleted; and vice versa for bonds added. I imagine C would fall into the category of electropositive atom.
Happy New Year!
It would be nice to have an option to have Marvin change the formal charge, instead. You could make the option one of the msketch parameters.
This feature would be useful when drawing reaction sequences, when bonds and charges are changing but numbers of H atoms are not.
The direction in which the formal charge changed would have to depend on the atom, of course. Electronegative atoms would have their charges decrease by 1 for each bond deleted; electropositive atoms would have their charges increase by 1 for each bond deleted; and vice versa for bonds added. I imagine C would fall into the category of electropositive atom.
Happy New Year!