On 2004-10-22 (08:51) Dan Bolser wrote:

>On Thu, 21 Oct 2004, timothy driscoll wrote:
>
>>
>>1. choose from among four different gradient styles (rainbow,
>>blue-white-red, black-white, or white-black).
>>
>>2. create gradients that apply to a single chain, span multiple
>>chains, or apply separately to each chain of a multi-chain
>>structure.  up to four chains are supported at this time.
>>
>>
>>Color Gradients is comptible with Jmol, Rasmol, and Chime, and is
>>available here:
>>
>><http://www.molvisions.com/resources/color_gradients/>
>>
>>
>
>This looks really great. One thing I expected was that the gradient
>would be 'squashed' to fit the length of the selection, so I would
>always see one blue, one white and one red even if I only selected
>three residues. Selecting around 40 residues I only see (a very
>nice:) gradient from white to red.
>

hi Dan,

thanks.  the algorithms for generating the color codes still need some
testing; for example, it *was* my intention that you should get one
blue, one white, and one red if you enter a stretch of three residues.
:-)  I'll have to take a closer look at optimizing that particular
calculation.


>One other thing I spotted using the grayscale was the following
>color "color [255,-0,0]", which rasmol doesn't like.
>
excellent; good catch.  can you tell me the range of residues you used
to see a value of -0?


>I was attempting to build something vaguely similar (in concept)
>with the 'pdbHighlight' project, basically a resource for visually
>annotating PDB files. Although I haven't found time to make my perl
>scripts into a CGI page yet.
>
>http://bioinformatics.org/pdbHighlight/
>
>This has been a work in progress for a couple of years ;)
>
looks like your goals are much more lofty than my own!  I just wanted to
recreate and improve the Rasmol 'color group' command.


>One thing I would love to see is if you could 'serve' your scripts
>as a web service with an API, then rasmol / jmol / chime could be
>configured to lookup the results of that web service on a certain
>command (i.e. based on a config file which would expand the language
>syntax). The only practical difference with this approach is that it
>avoids the need to copy / paste from one platform to another, but it
>also opens up the possibility of sending all kinds of cool commands
>to peoples molecular viewers on request.
>
interesting idea.  I do plan to add a Jmol viewer to the output, so you
can see the results of the gradient immediately, and a method to
download the script file directly instead of copy-pasting.  that might
serve as an intermediate step...


regards,

tim
-- 
Timothy Driscoll
molvisions - see, grasp, learn.
<http://www.molvisions.com/>
usa:north carolina:wake forest


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