Hi,
De: David Leader <[EMAIL PROTECTED]>
>
>I am refering to specific ligands in the pdb file which I have in my
>database. I can turn them on with commands of the type:
><param name="script" value="set hetero off; select LLP; spacefill;
>color cpk; set hydrogen off">
>Initially I turned these off with the simple command that works in
>rasmol/chime:
><param name="altscript" value="restrict protein">
>However in the particular case cited (LLP in 1a8i.pdb) there are
>amino acids in the ligand and Jmol treats the ligand as protein. It
>would be nice if I could specifically turn LLP off, but the best I
>can do to get back to where I was is:
><param name="altscript" value="restrict 0;cpk off;restrict
>protein;wireframe off; backbone 0.3">
>Does anyone know a more elegant way of doing this?
I think you can do the following :
If you're using one of the prerelease version, you can specify selection using
SMILES patterns. Something like :
restrict not substructure("<your smiles pattern>");
Hope this helps
Nicolas
-------------------------------------------------------
SF.Net email is sponsored by: Discover Easy Linux Migration Strategies
from IBM. Find simple to follow Roadmaps, straightforward articles,
informative Webcasts and more! Get everything you need to get up to
speed, fast. http://ads.osdn.com/?ad_idt77&alloc_id492&op=click
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
