Re: [Jmol-developers] protein and ligand view - regarding

[Sam P. D. <rea...@gm...>]

Hello Angel,
thank you so much...... It works!

Is there any possibility of invoking the script(load files "protein"
"ligand" ; cpk off.......) in a
file and make it work with at the click of a button? i.e.Can I add a button
which when clicked should do the protein-ligand loading(which is now done
using script console)?

thanks and regards,
Sam

2011/10/10 Angel Herráez <ang...@ua...>

> **
> Hello Sam
>
>  All can be done:
>
>
>  > Is there any possibility of viewing both the protein and the ligand in
> the same frame,
> > which will enable me to view the ligand's docking with the protein?
>
>  either of these:
>
>   frame all;
>  frame *;
>
>  will do that. They are not in the same frame, but you see both. If you
> really need a single frame, you should use
>  load "ligand.mol2";
>  set appendNew false;
>  load "protein.mol2";
> (but then selection as explained below will be more difficult)
>
>
>  > 1. Is there any possibility of viewing one frame as 'sticks and balls'
> and the other frame as
> > 'wireframe'?
>
>  select file=1; wireframe 0.15; spacefill 23%;
> select file=2; wireframe on; spacefill off;
>
>
>  > 2. Can change is colours be made for the ligand alone?
>
>  followe the same selection method
>
>  Alternatively to "select file" you can also use
>   select 2.1;
>   select 1.1;
> (Both will only work if you have NOT loaded them both into a single frame)
>
>
>
>
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