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) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ What Every C/C++ and Fortran developer Should Know! Read this article and learn how Intel has extended the reach of its next-generation tools to help Windows* and Linux* C/C++ and Fortran developers boost performance applications - including clusters. http://p.sf.net/sfu/intel-dev2devmay _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
