Heinz-Uwe, For 0.95:
The inversion function was changed in version 0.95 to take advantage of multiple picked atoms. To invert a center, Ctrl-middle-click to pick the center atom as pk1 and two stationary atoms as pk2 and pk3. Then type Ctrl-E to invert. For 0.93: Ctrl-middle-click to pick the center atom (pk1) Ctrl-shift-left-click to pick the first stationary atom as (lb) Ctrl-shift-right-click to pick the second stationary atom as (rb) Ctrl-E to invert It sounds to me like you're following the proper procedure for 0.93, so I am a bit puzzled as to why it isn't working... Cheers, Warren -- mailto:war...@delanoscientific.com Warren L. DeLano, Ph.D. Principal Scientist DeLano Scientific LLC Voice (650)-346-1154 Fax (650)-593-4020 > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > Heinz-Uwe Hobohm > Sent: Monday, May 10, 2004 4:09 AM > To: PyMOLBB > Subject: [PyMOL] L->D amino acid conversion using pymol > > Gents, > > I want to try to visualize a retro-enantio Conotoxin peptide > (reverse sequence, all D-amino acids, sculpting) and visually > compare surface charge to its normal L-amino acid counterpart > using Pymol. I use Pymol 0.93 (fink compiled) on a Powerbook > G4/667 with three-button mouse. > > Mutating residues using the mutation wizard works fine, but I > get an error upon L->D conversion. Using the mouse, I > understand from the reference manual the following procedure: > > Invert > NOTE > The invert function is usually bound to CTRL-E in editing mode. > The default selections are (lb) and (rb), meaning that you > can pick the atom to invert with CTRL-middle click and then > pick the stationary atoms with CTRL-SHIFT/left-click and > CTRL-SHIFT/right- click, then hit CTRL-E to invert the atom. > > After correctly following this mouse-procedure selecting > c-alpha and nitrogen, an error-message says: invert error: > couldn't find basis for inversion. The same applies when > trying via command line (example for residue one): > > PyMOL> edit 1/ca > PyMOL> invert 1/n, 1/ca > invert error: couldn't find basis for inversion > > What am I doing wrong ? > > Kind regards > Uwe Hobohm > Heinz-Uwe Hobohm >