naismith at st-andrews.ac.uk
Mon Jan 20 05:17:32 PST 2014
I am experimenting with the morphing feature. I know I am being very stupid but I cannot get the analysis to work.
I am using a MAC OSX latest version.
I have created my morph which is running nicely.
What I would like to do is analyse the morph for VDW clashes.
(That is in going from structure 1 to structure 2, what residues would have to move).
First problem is when I run cluster (under analysis in MD movie) then generate residue interaction for cluster, up pop a new dialogue with warnings but seems to ask about calculations
When I click OK or apply I get a new box residue interaction contact parameters
This always generates an error “No atoms designated for clash detection’
I seem only to have four options
all others atoms (default)
other atoms in same model
second set of designated atoms
Any help gratefully received
(Ps I have installed the latest cytoscope but it does not have the structure.viz plugin; I keep getting errors trying to install older version)
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