hi Egon,

at 11:46 am EDT on (Thursday) 20 November 2003 E.L. Willighagen said:

> On Thursday 20 November 2003 11:28, timothy driscoll wrote:
> > > > There is currently not a good mechanism in Jmol to support
> > > > alternate locations. Therefore, I will modify the .pdb reader to
> > > > take the first conformation it sees and discard the others.
> > > >
[...]
> 
> In the latter case, it would require Jmol to mark an Atom with two
> coordinate sets... this is still doable, but Miguel and I need to have
> a very clear picture then what is intended... he's not a chemist, but I
> am, so I think we can work this out... even pretty quickly...
> 
I will defer to the true chemists, but this sounds like the cleanest and
most logical option to me.

 
> So, my main question right now is, how do you use the alternative
> conformations of residues? Is there a webpage with Rasmol/Chime script,
> or some other demo that would examplify how the script commands are
> used and what effect they give... this will help me identify the best
> internal representation (one of the two options...)...
> 
unfortunately I do not have a Web page demonstrating this.  I am not sure
that Chime even supports alt conf, though I will check as soon as I can...

regards,

:tim

-- 
timothy driscoll
molvisions - molecular graphics & visualization
<http://www.molvisions.com/>
usa:north carolina:wake forest


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