Structural manipulation

Functions
	addCaps sel ?cap?
	addCaps2 sel ?cap?
	moveSelTo s1 dest
	swap s1 s2

Detailed Description

Function Documentation

addCaps()

addCaps			sel ?cap?

Mutate first and last residue of a selection so that tleap will turn them into ACE and NME caps. "cap" may be "ACE", "NME", or "both" (default).

addCaps2()

addCaps2			sel ?cap?

Stronger version of addCaps - replaces whatever first and last atoms

moveSelTo()

moveSelTo			s1 dest

Move a selection so that its center of mass is placed at the given point.

Parameters

s1	The atomselection
dest	Destination point, as in {x y z}

swap()

swap			s1 s2

Exchange the positions of two atomselections s1 and s2 (based on their centers).