Re: [PyMOL] superimpose option

2009-12-08 Thread Andreas Prlic
Just to quickly add... probably the easiest way to run CE at the present might be through the new protein comparison tool at RCSB-PDB web site: http://www.rcsb.org/pdb/workbench/workbench.do Andreas On Tue, Dec 8, 2009 at 8:12 AM, Michael Zimmermann wrote: > Dr. Vertrees, thank you for the th

Re: [PyMOL] superimpose option

2009-12-08 Thread Jason Vertrees
Michael, You are correct. Users can just download the CE program and use that. The CEAlign that I was talking about is a C++ extension that I wrote just for PyMOL. It plugs directly into the PyMOL system so you can just type: cealign protA, protB and the proteins are aligned and the results a

Re: [PyMOL] difficulties with pymol’s fuse command .

2009-12-08 Thread Robert Campbell
Hi, I posted an answer on the blog, but I'll copy it here. Someone can correct me if I'm wrong! On Tue, 08 Dec 2009 10:02:59 -0600 Michael Zimmermann wrote: > I have no experience with fuse, but my guess would be Mariana might > want to just use 'bond' and translate one termini as needed. If

Re: [PyMOL] superimpose option

2009-12-08 Thread Michael Zimmermann
Dr. Vertrees, thank you for the thorough reply to Saeid's question. I just wanted to note that you don't have to install all of PyMol from source to use CE. You can set up CE and just run it when you want it, like other python add-ons. That might not be the case for the most recent version thoug

Re: [PyMOL] difficulties with pymol’s fuse command .

2009-12-08 Thread Michael Zimmermann
I have no experience with fuse, but my guess would be Mariana might want to just use 'bond' and translate one termini as needed. If she doesn't want to "manually" translate, there is always energy minimization to correct bond lengths. Take Care. On Tue, Dec 8, 2009 at 12:59 AM, Nir London wrote:

Re: [PyMOL] superimpose option

2009-12-08 Thread Jason Vertrees
Saeid, If you know exactly which atoms in protein A are to be paired with atoms in protein B, then this is "fitting" and PyMOL can do it with the "fit" family of commands. In PyMOL type, "help fit" to get help and "fit ?" for fit's syntax. (A neat trick in PyMOL: "commandName ?" will show you in

Re: [PyMOL] superimpose option

2009-12-08 Thread Andreas Forster
Hey Saeid, use the 'super' command. Type super protein1, protein2 For more information, check teh wiki. Andreas On Tue, Dec 8, 2009 at 7:07 AM, saeid mirzaei wrote: > Hi everyone, > > could some one tell me I can use Pymol for superimposing two protein or not > if so how can I use it? >