Re: [PyMOL] change atom coordiates?

[Jason V. <jas...@sc...>]

Hi Nicolas,

> can I selectively change coordinates of particular atoms in a state?

Yes, you just need to properly select that atom.

> It seems that "alter_state" is not able to do that, since the expression
> (at least according to the help text) seems to apply to the x-coordinate
> of all atoms in the state for instance.

alter_state applies to more than just the x-coordinate.  Take the
following for example:

# make an alanine

frag ala

# add another state

frag ala

# alter the C-alpha position in state 2

alter_state 2, ala and n. CA, (x,y,z)=(1,1,1)

# go to state 2

set state, 2


Cheers,

-- Jason

-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC

(e) Jas...@sc...
(o) +1 (603) 374-7120