AMBER Archive (2005)

Subject: AMBER: xleap MOVE and .lib file

From: Stern, Julie (jvstern_at_bnl.gov)
Date: Wed Feb 02 2005 - 11:01:55 CST

Hello,
    Just using the mouse, I had great difficulty separating the atoms in
xleap in order to connect them. I'm using a 2 button mouse instead of a
3 button mouse and for any slight move, the whole molecule would disappear
off the screen.
    So, I used select and move on individual atoms and was able to draw and
connect the atoms correctly. Is move changing any coordinate information
or is it just for connectivity?
    When I looked in the .lib file I had created, the values in
!entry.ABC.unit.positions table dbl x dbl y dbl z were quite large,
on the order of E+04 and E+05. What are these values exactly? And,
did I make them overly large with the move feature?

Thanks.

--Julie
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