Re: [PyMOL] how to call the align command without opening Pymol GUI window

2010-09-13 Thread Li Xue
Thanks, Jason, it works. :) Li On Sun, Sep 12, 2010 at 5:40 PM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Hi Li, > > I created a small python script "testAlign.py" with the following 3 > lines as its content: > > cmd.fetch("1cll 1ggz", async=0) > rmsd = cmd.align("1cll", "1ggz")[

Re: [PyMOL] how to call the align command without opening Pymol GUI window

2010-09-12 Thread Jason Vertrees
Hi Li, I created a small python script "testAlign.py" with the following 3 lines as its content: cmd.fetch("1cll 1ggz", async=0) rmsd = cmd.align("1cll", "1ggz")[0] print "RSMD for aligning 1cll to 1ggz is: ", rmsd This fetches two PDBs, aligns them and reports their RMSD. Now, just run "pymol