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Difference between revisions of "Alter State"
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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: | ||
Revision as of 21:01, 23 December 2015
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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:
- 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)