[Chimera-users] noeshow

[Eric Pettersen]

On Apr 27, 2009, at 9:39 AM, Elaine Meng wrote:

> - draw lines between any pair of atoms, with control over color and
> optional label of each line.  You would do that by creating a simple
> text file describing the lines and reading it in with Pseudobond  
> Reader.
> <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/pbreader/pbreader.html
>>
> However, you would still have to calculate the violations yourself and
> assign colors accordingly -- not nearly as automatic and convenient as
> using NOESHOW.

Also, if the violation criteria were uniform, or only depended on  
heavy-atom element types or atom types, then it wouldn't be too hard  
to write a Python script to color the pseudobonds after they were read  
in.  More sophisticated analysis that noeshow was capable of, such as  
exponential averaging across an ensemble of structures, would be some  
work though.

--Eric

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