S. Frank Yan wrote:
Hi all,
I was wondering if there's a way to manually move a molecule relative to
other molecules (such as in the case of manual docking) using the mouse.
I searched the previous posts and found that MovF/RotF are the way to do
that. But, when using these mouse functions to move the molecule, one
atom of the molecule moves erratically and the molecule is then
distorted. It appears to be a bug.
No.
Set the mouse in editing mode. Hold the shift key and put the mouse on
any atom of the ligand. (While holding the shift key) Press the right
key and move for rotation and Press the middle key and move for
translation. Works like a charm. I do all manual dockings on pymol
because bond rotation etc is so easy! And the best part is if you move
the ligand into a bad conformation, just hit Ctrl-Z to regain the last
conformation.
Make sure that the ligand is a separate object from the protein.
Hope this helps.
--
:-)
Ramesh K. Sistla
May the wicked become good, may the good attain peace
May the peaceful be freed from bonds, may the freed set others free
-- Rig Veda
