Re: [PyMOL] align states

2006-07-14 Thread Joel Tyndall
Hi andrea, you can easily do this by split_states my_struct dele my_struct for the NMR ensemble, then I would use the action menu, align function and align them to state_1. This is in effect aligning the separate states as objects, unless I misunderstood you J Andrea Spitaleri wrote: Hi

[PyMOL] (kein Betreff)

2006-07-14 Thread Milan Gerovac

[PyMOL] align states

2006-07-14 Thread Andrea Spitaleri
Hi all, in pymol is it possible to align states rather than object. I mean, I have loaded a pdb file with n-structures and I'd like to align each of them on the first one of the bundle. Thanks in advance Regards andrea -- Why stand on a silent platform? Fight the war, fuck the norm (RATM)

Re: [PyMOL] running Python scripts with options

2006-07-14 Thread Tsjerk Wassenaar
Hi Mikael, As far as I'm aware that is not possible (and definitely not with "run", see 'help run'). What you can do is to define a function in test.py, which takes the arguments you want. Then, after running the script you can use the function as you please. If, in addition, you add to the end o

[PyMOL] running Python scripts with options

2006-07-14 Thread Mikael Hansen
Hi all, is there a way to run Python scripts with options in PyMOL, e.g. run test.py -i [PDB file name] ? When I naïvely run the above I get no file 'test.py -i [PDB file name]' found. Thanks, Mikael Sonne Hansen