> Do you want (a) that the whole residue is within 5A, or (b) that any > of its atoms is within 5A? > > select amino and within(group, within(5.0, STP2) ); # will do (b)
I think I have what I want with that. I didn't saw that within could be combined like that... I really need a full day to make my hands on Jmol scripting :) > 'select pockets and resNo=2; hide none; select none;' > is cancelling itself. No point doing it so: you select and unselect. My idea was that 'hide none' would apply to the selection I made previously, which obviously is not possible as hide is global. What I need exactly on that, is to allow the user to hide several sub-systems: predicted active sites in my case. For each active site, I've a checkbox that allow the user to display and hide it. So for now, I simply use this script to hide a given pocket: select pocket# ; cpk off ; wireframe off; isosurface surf# off ; and the following to display it again: select pocket# ;cpk 1.5 ; wireframe on ; for displaying. It works fine, but I'm not sure this is the best way to do :) Just a last question: Is it possible to retrieve residue names / ID for the current selected residue (in order to display them in a text area) ? That is, the user click on a button associated with a pocket, and I retrieve amino acid names and IDs from Jmol and display it as text in the text area... As far as I know it's not, but just in case... Anyway, thank you very much for you answers. vincent ------------------------------------------------------------------------------ Return on Information: Google Enterprise Search pays you back Get the facts. http://p.sf.net/sfu/google-dev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
