VMD-L Mailing List

From: Ignacio Fernández Galván (jellby_at_yahoo.com)
Date: Thu Sep 28 2006 - 04:08:08 CDT

Hi all,

How can I add bonds beween specific atoms (better if I can refer to
them by name and residue than by index) in a script?

I've found that you can redefine the connectivity of a selection with
$selection setbonds {"list of bonds"}, but this forces one to reset all
existing bonds in a selection. Is there no easier way to just add (or
remove) a bond between two atoms? I guess one could use $selection
getbonds and then modify it, but how?

Thanks
Ignacio

                
___________________________________________________________
Try the all-new Yahoo! Mail. "The New Version is radically easier to use" – The Wall Street Journal
http://uk.docs.yahoo.com/nowyoucan.html