Re: [Jmol-developers] distance restraints in Jmol?

[R. K. W. <we...@cs...>]

On Fri, 22 Jun 2007, Bob Hanson wrote:

> Kent, can you give us some concrete examples of what you are looking for?

Okay, I'll try to explain.  We are displaying protein structures.  We
know that there are distance restraints (min and max) between certain
atoms in a given protein, but right now these don't show up because 
they're not actual bonds between the atoms.  So when there's a distance
restraint between two atoms we'd like to show this with a line that's
dashed, or a different color, or something like that.  We'd also like to
give an indication if the restraint is violated (the actual distance is
less than the min or greater than the max) -- maybe change the color, or
change to a different pattern of dashes, or something like that.

So basically it amounts to adding some extra lines to be drawn between
certain atoms.

Hopefully that's reasonably clear...

Kent

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R. Kent Wenger, Associate Researcher (we...@cs...)

Computer Sciences Department, room 4291
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Web page: http://www.cs.wisc.edu/~wenger/
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