1 how can i calculate the charges for molecular. to calculate the charges both for ligand and receptor individually. if i want to do docking,if i must calculate charges. 2 how can i add hydrogen for HIS. Maybe , no exact position for HIS. how can i add hydrogen directly? thank you very much!

Hello, Use the Dock Prep tool (in menu, Tools... Structure Editing... Dock Prep). It can do several things to prepare a structure, including adding hydrogens and charges. <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/dockprep/ dockprep.html> Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco