> From: Scott Dixon [mailto:sc...@metaphorics.com]
> > By the way, it is important to understand the disntinction > between PyMOL's > > scripts and Python programs you run your PyMOL -- PyMOL scripts are > > basically just a linear series of PyMOL commands. For anything more > > sophisticated, use straight Python. > Understood. BTW, one way to get part of the benefit of arguments to > PyMOL scripts is to use named selections and to load molecules into > specific object names (like say, "ligand"). Then your > scripts can work > on the standard names and be more widely reusable. But I take your > point about Python being much more versatile. Yes, you can certainly use program state as a means of conveying information, and you can even use global python variables in this manner even when operating inside of PyMOL command scripts: /obj1="hi" @ex1.pml # where ex1.pml contains... reset /cmd.zoom(obj1) /cmd.show("spheres",obj1) NOTE: a forward slash can be used to explicitly include a line of Python in a PyMOL script. Normally it isn't required (since PyMOL commands fall back on Python "eval"), but it is more efficient because is bypasses normal parsing. Again, I view these approaches as best for limited -- real Python scripts gives you so much more, with very little added burden. Cheers, Warren