Hi Orla, * Orla O'Sullivan <orla.osulli...@teagasc.ie> [2006-04-28 11:37] wrote: > > Is there any way to change an L-alanine to a D-alanine in pymol
Sure. In the "build" menu there is an entry: Invert (pk2)-(pk1)-(pk3) [Ctrl-E] pk1 is the atom whose configuration is to be inverted. pk2 and pk3 are the two atoms attached to pk1 whose position will remain the same. The other two atoms attached to pk1 (assuming in the general case that it is tetrahedral) will swap places. So in the specific case of converting an L-amino acid to a D-amino acid: Using the mouse, pick first the Calpha and then the N and C atoms of the main chain of the residue you wish to convert to the "D" configuration. These atoms will not move. Then use that menu item (or type "Ctrl-E") and the Cbeta will flip to the other configuration. Cheers, Rob -- Robert L. Campbell, Ph.D. <r...@post.queensu.ca> Senior Research Associate phone: 613-533-6821 Dept. of Biochemistry, Queen's University, fax: 613-533-2497 Kingston, ON K7L 3N6 Canada http://adelie.biochem.queensu.ca/~rlc PGP Fingerprint: 9B49 3D3F A489 05DC B35C 8E33 F238 A8F5 F635 C0E2
