RE: [PyMOL] add hydrogens using different hybridization

2004-04-07 Thread Warren DeLano
Frank, PyMOL adds hydrogens based on the hybridization and formal charge of an atom...if you're not getting the right number of hydrogen, then you probably need to adjust either the valences of the bonds it participates in, or the formal charge. A) To adjust valences: 1) enable "show valences" f

RE: [PyMOL] add hydrogens

2001-12-13 Thread DeLano, Warren
Addis, Yes, I am aware of this issue and plan to address it in later versions. Hydrogen adding needs to become residue-aware. Note that when you are building amino acids, they do start out with qausi-correct hydrogen names. There is still some ambituity as to which convention is followed fo