[PyMOL] Creation of single nmr-like structure from separate pdb's

2012-07-20 Thread James Starlight
Dear PyMol users! I have big pdb ensembles consisted of 20-100 X-ray structures of different conformers of common protein solved by X-ray. I want to obtain single pdb files for such ensembles in NMR-like format. Firstly I can load all that pdbs into pymol by means of loadDir script. Now I'd

Re: [PyMOL] Creation of single nmr-like structure from separate pdb's

2012-07-20 Thread Thomas Holder
Hi James, are these structures identical in topology (same identifiers, no missing atoms)? If yes, just load them all into the same object: python import glob for filename in glob.glob('*.pdb'): cmd.load(filename, 'ensemble') python end If there are missing atoms or identifier mismatches,

[PyMOL] Algorithms for protein shape comparison

2012-07-20 Thread James Starlight
Dear PyMol users! In this topic I'd like to discuss different algorithms of the structure superimposition included in PyMol. First of all I've already noticed that some of such algorithms like CE or TMalign (part of the PSICO) have been already included in PyMol. It's known that such algoritms

[PyMOL] Very strange problem

2012-07-20 Thread Malai
Hi Pymol users, I am using Pymol 1.5.0.0. I tried to cartoon for the complex but Pymol can not assign the cartoon for some parts of complex. When I use some commercial visualizer like MOE and Discovery Studio. It works well. Could you help me what is the problem in the structure or pymol? Many

Re: [PyMOL] Very strange problem

2012-07-20 Thread Jason Vertrees
Hi Malai, What structure? Can we see it? (Feel free to send it to me if you can share it.) Cheers, -- Jason On Fri, Jul 20, 2012 at 3:09 PM, Malai winterho...@gmail.com wrote: Hi Pymol users, I am using Pymol 1.5.0.0. I tried to cartoon for the complex but Pymol can not assign the cartoon