This is the starting point of the Wit!P Tutorial. The tutorial is organized
as a linear thread, with a link to the next topic at the end of each page.
You may use the following index to jump to a specific topic:
get started | start Wit!P client and graphics server |
read a PDB file | read in a file from the protein database |
play with it | use the mouse and keyboard commands to manipulate the display |
rotations etc. | rotations and translations using mouse and keyboard |
molecules and trees | important things to know about the hierarchical organization of molecular data |
selecting atoms | learn how to name individual atoms and groups of atoms (atomselections) |
measuring | measure distances, angles, dihedrals,... |
monitoring | distance monitoring |
copy, move, merge | manipulate the molecular data tree, manual docking of inhibitor |
minimization setup | prepare a protein/ligand complex for energy minimization |
run minimization | run a constrained energy minimization of a protein ligand complex |
LMOD Tutorial | prepare protein/ligand complex for Macromodel/LMOD calculation |