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Difference between revisions of "Alter State"

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===DESCRIPTION===
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'''alter_state''' changes the atomic coordinates of a particular state using the python evaluator with a separate name space for each atom.  The symbols defined in the name space are:
 
'''alter_state''' changes the atomic coordinates of a particular state using the python evaluator with a separate name space for each atom.  The symbols defined in the name space are:
 
* x
 
* x

Revision as of 01:31, 28 March 2014

alter_state changes the atomic coordinates of a particular state using the python evaluator with a separate name space for each atom. The symbols defined in the name space are:

  • x
  • y
  • z

USAGE

alter_state state,(selection),expression

EXAMPLES

# Alter the X coordinate for all
alter_state 1,(all),x=x+5

#Shift the coordinates of the entire PDB file
alter_state 1,selection,(x,y,z)=(newx,newy,newz)

SEE ALSO

Iterate_State, alter, iterate