search and evaluation
 

When the search bases for the proteins and the mimetics are defined, press the search button:

The table contains the best hits sorted by the r.m.s. of the stem atoms;

Click into the table to get the 3D-view of the protein with inserted mimetic;

The distance between atoms of the mimetic and not substituted atoms of the protein is shown by a blinking white line. The right status bar contains information about protein, stem amino acids, mimetic name, conformation, root mean square distance between stem atoms.

You can visit the results of the other conformers of the same mimetic by double clicking into the table.

The results are again sorted by the r.m.s. of the stem atoms, and the minimal distance between atoms of the protein and inserted mimetic is added.

 

Visualization:

right: 3D visualization of the protein:

move the mouse with:

right mouse button pressed : move the protein

left mouse button pressed : rotate the protein

left mouse button pressed + Strg : rotate around z-axis

left mouse button pressed + Alt : zoom in/out

click on an atom to get information about it

double click on atom : center on the atom

left: visualization of the side-view

dashed lines: clipping planes

move the clipping planes to hide parts of the protein