Feature Requests item #2861188, was opened at 2009-09-18 06:10
Message generated for change (Comment added) made by nobody
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https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2861188&group_id=23629

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Category: Interface Improvements
Group: None
Status: Closed
Priority: 5
Private: No
Submitted By: Jan  Jensen (jhjensen2)
Assigned to: Nobody/Anonymous (nobody)
Summary: Superimposing frames by aligning 3 atoms

Initial Comment:
It would be very useful to be able to superimpose molecules (frames) with 
different number of atoms (frame align required identical molecular I believe). 
 The easiet way should be the alignment of 3 user defined atoms in each 
molecule.

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Comment By: Nobody/Anonymous (nobody)
Date: 2011-04-07 13:39

Message:
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[url=http://kjkrdssrhzji.com/]kjkrdssrhzji[/url],
[link=http://trlohollvhxv.com/]trlohollvhxv[/link],
http://nqxnwmxdpfkg.com/

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Comment By: Bob Hanson (hansonr)
Date: 2010-03-25 21:53

Message:
now possible using the COMPARE command. See Jmol 11.10 documentation.

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Comment By: Jan  Jensen (jhjensen2)
Date: 2009-09-20 15:49

Message:
yes, exactly.  One could translate so that the first atom pairs coincide. 
The rotate so the second atom pair is along the same line, then rotate
again so the third atom pair is in the same plane.

It would be great if it would also work for more than 2 frames. 

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Comment By: Bob Hanson (hansonr)
Date: 2009-09-19 18:25

Message:
are you thinking that you want to do both translation and rotation in order
to align the specified atoms most closely?

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You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2861188&group_id=23629

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