Re: [PyMOL] crankshaft flip

2010-06-28 Thread Jason Vertrees
Jakob, Try, rotate [xAxis, yAxis, zAxis], someAngle, yourSelection For example: # grab a protein fetch 1cll, async=0 # zoom & color zoom i. 20-25 color blue, i. 20-25 # rotate some selected atoms rotate [0.25, 0.4, 0], -12.5, i. 20-25 Cheers, -- Jason On Mon, Jun 28, 2010 at 11:14 AM, Jakob

Re: [PyMOL] crankshaft flip

2010-06-28 Thread Jakob Nielsen
thanks, how can I flip a selection of atoms around an arbitrary axis? 2010/6/28 Edward A. Berry > Jakob Nielsen wrote: > > Dear Pymol users, > > I would like to modify a protein pdb file with a "crankshaft" flip, > > which is the anti-correlated double change: psi(i-1) += delta and phi(i) > > -=

Re: [PyMOL] crankshaft flip

2010-06-28 Thread Jakob Nielsen
thanks for your help, it is difficult for me to imagine the effect of this operation, but I have read a few places that this should be the effect, but I might be wrong. Anyway, what I want is using two consecutive C-alphas as "flexible hinges" rotating the peptide plane between this two C-alphas ar

Re: [PyMOL] crankshaft flip

2010-06-28 Thread Edward A. Berry
Jakob Nielsen wrote: > Dear Pymol users, > I would like to modify a protein pdb file with a "crankshaft" flip, > which is the anti-correlated double change: psi(i-1) += delta and phi(i) > -= delta. Such a change should leave the protein coordinates unchanged > effecting only atoms in residues i-1 a

Re: [PyMOL] crankshaft flip

2010-06-28 Thread Robert Campbell
Dear Jakob, On Mon, 28 Jun 2010 15:32:59 +0200 Jakob Nielsen wrote: > I would like to modify a protein pdb file with a "crankshaft" flip, which > is the anti-correlated double change: psi(i-1) += delta and phi(i) -= delta. > Such a change should leave the protein coordinates unchanged effecting

[PyMOL] crankshaft flip

2010-06-28 Thread Jakob Nielsen
Dear Pymol users, I would like to modify a protein pdb file with a "crankshaft" flip, which is the anti-correlated double change: psi(i-1) += delta and phi(i) -= delta. Such a change should leave the protein coordinates unchanged effecting only atoms in residues i-1 and i. However implementation i