Re: [PyMOL] Spectrum

2009-11-09 Thread Robert Campbell
Hi Sean, On Mon, 09 Nov 2009 10:58:53 -0500 Sean Law wrote: > > Robert, > > I would have to agree with you. I've used many of your scripts and have > also learned a lot from them and think that the color B script is pretty > robust and helpful. Thanks. > I could be wrong but I remember the

[PyMOL] Fwd: asymmetric transformation matrices

2009-11-09 Thread Tsjerk Wassenaar
Hmm, this should've been replied to the list. The info may be useful to others. Tsjerk -- Forwarded message -- From: Tsjerk Wassenaar Date: Mon, Nov 9, 2009 at 5:02 PM Subject: Re: [PyMOL] asymmetric transformation matrices To: Thomas Evangelidis Hi Thomas, You're not doing w

Re: [PyMOL] asymmetric transformation matrices

2009-11-09 Thread Thomas Evangelidis
As Tsjerk pointed out, there was a mistake in the code. Just for the record this is the right function: pdb2entry = { "1ONE": "1ONE_A", "2ONE": "2ONE_A" } # a function to measure Ca distances of oposite pairs of superimpossed chains (the proteins must have the same aa composition) def check_fo

[PyMOL] Spectrum

2009-11-09 Thread Sean Law
Robert, I would have to agree with you. I've used many of your scripts and have also learned a lot from them and think that the color B script is pretty robust and helpful. I could be wrong but I remember the original poster commenting about using the "min & max" settings from the spectrum c

Re: [PyMOL] asymmetric transformation matrices

2009-11-09 Thread Thomas Evangelidis
Well practically speaking the opposite superimpositions are not performed in the same fashion. Lets take 1ONE and 2ONE as an example, 2 different conformations of the same molecule. Since the aa composition is identical (at least from what I've seen the chains have the same length), I meas

Re: [PyMOL] spectrum

2009-11-09 Thread Robert Campbell
Hi Mark and Sean, On Sat, 07 Nov 2009 10:05:59 -0500 Sean Law wrote: > Sorry for the earlier confusion. I think I found a hackish way of getting > a gray spectrum: I know I'm biased, since I wrote the color_b.py script, but I fail to see what is difficult about typing: color_b "selectionna

Re: [PyMOL] asymmetric transformation matrices

2009-11-09 Thread Tsjerk Wassenaar
Hi Thomas, Say, the first system is x and the second y, where y=R(x+s) is the first transformation. Then the reverse transformation follows as y = R(x + s) y = Rx + Rs Rx = y - Rs x = t(R)(y-Rs) Note that that is also equal to: x = t(R)y - s Hope it helps, Tsjerk On Mon, Nov 9, 2009 at