Tina, > I have two operations that I want to perform, and am not aware of a simple > way > (if possible) of doing them. So here it goes: > > 1. how (if possible) to retrieve the color for a residue as identified in > an > expression, e.g. "resi 9"? Note that it's not a range so no multiple > answers > is possible. I guess the question could extend to other attributes like > representation, etc. The reason I need that is to be able to switch back > to a > residue's original color after highlighting it in another.
The iterate command can do this... iterate all, print color import pymol pymol.color_list = [] iterate all, color_list.append(color) print pymol.color_list > 2. how to select all non-natural residues (anything that's not in the list > of > 20 standard AAs)? > > I'm going the brute-force way, i.e. > > naturals1='asp+glu+lys+arg+phe+tyr+cys+met+ser+thr' > naturals2='asn+gln+leu+val+ile+gly+ala+his+trp+pro' > select naturals1, resn naturals1 > select naturals2, resn naturals2 > select nonnaturals, !naturals1 & !naturals2 Does the above work? I wouldn't expect variables to function in PyMOL statements, but perhaps you're actually using cmd.select(...), which can access variables. However, you don't need to brake it up quite so much: select naturals, resn asp+glu+lys+arg+phe+tyr+cys+met+ser+thr \ or resn asn+gln+leu+val+ile+gly+ala+his+trp+pro select nonnaturals, !naturals Cheers, Warren
