Re: [PyMOL] Editing of the pdb structure

2012-03-20 Thread Thomas Holder
Hi James, set pdb_use_ter_records, 0 This will not use TER records at all. Cheers, Thomas On 03/20/2012 08:07 AM, James Starlight wrote: Dear PyMol users! After editing of my pdb files by means of PyMol I've noticed that some of my structures contain of wrong TER enties in the body of

[PyMOL] stereo under OSX Lion with Nvidia Quadro 4000 and Nvidia Glasses?

2012-03-20 Thread Harry Mark Greenblatt
BSD Dear All, Can anybody confirm that they have a Mac Pro + Quadro 4000 + OSX 10.7.x + Nvidia 3D Vision glasses + compatible (non-Zalman) 120 Hz LCD screen working with quad buffered stereo? Thanks Harry - Harry M.

[PyMOL] new PyMOL extension: psico

2012-03-20 Thread Thomas Holder
Dear PyMOL users, I put a new python module on the PyMOLWiki which is a comprehensive collection of scripts. It's basically my in-house setup of PyMOL scripts, where all good stuff which I need regularly got incorporated. http://pymolwiki.org/index.php/Psico Cheers, Thomas -- Thomas

Re: [PyMOL] Editing of the pdb structure

2012-03-20 Thread Tsjerk Wassenaar
Hi James, In addition to Thomas' answer... What is _wrong_ about the TER statement? Your chain is broken, indicated by the nonconsecutive numbers. That means you have two distinct molecules, and they are separated by a TER statement. Doesn't seem wrong. Yeah, they might be the same chain, but

Re: [PyMOL] new PyMOL extension: psico

2012-03-20 Thread zjxu
Dear Thomas, Wonderful work. I will have a try. Cheers, Zhijian Xu Thomas Holder wrote: Dear PyMOL users, I put a new python module on the PyMOLWiki which is a comprehensive collection of scripts. It's basically my in-house setup of PyMOL scripts, where all good stuff which I need

Re: [PyMOL] new PyMOL extension: psico

2012-03-20 Thread Jason Vertrees
Thomas, Nice work. We'll be sure to look at making some of those changes standard. Cheers, -- Jason On Tue, Mar 20, 2012 at 5:55 AM, Thomas Holder spel...@users.sourceforge.net wrote: Dear PyMOL users, I put a new python module on the PyMOLWiki which is a comprehensive collection of

Re: [PyMOL] Editing of the pdb structure

2012-03-20 Thread Thomas Holder
On 03/20/2012 11:35 AM, Tsjerk Wassenaar wrote: In addition to Thomas' answer... What is _wrong_ about the TER statement? Your chain is broken, indicated by the nonconsecutive numbers. That means you have two distinct molecules, and they are separated by a TER statement. Doesn't seem wrong.

Re: [PyMOL] stereo under OSX Lion with Nvidia Quadro 4000 and Nvidia Glasses?

2012-03-20 Thread Jason Vertrees
Harry, I have not seen any evidence of the NVidia 3D NVision system working on a modern Mac OS X system. For the Mac, you'll have to use something passive like Zalman (or maybe the new anaglyph). Cheers, -- Jason On Tue, Mar 20, 2012 at 3:59 AM, Harry Mark Greenblatt

[PyMOL] Query of running script of Contact Map Visualizer Plugin

2012-03-20 Thread Suhaila Haji Mohd Hussin
Hello I know the plugin mentioned above (in the Subject) will work if I go to Plugin Manage Plugins Install contact_map_visualizer I get that. But nothing happens if I run the plugin if I go to File Run contact_map_visualizer.py I do this because I need it for my project, preferably

Re: [PyMOL] Editing of the pdb structure

2012-03-20 Thread Tsjerk Wassenaar
Hi Thomas, 'Wrong', certainly in the context it was given in, is a statement of judgment. It suggest that there is a failure in the functioning, and is a criticism to the developer, becoming a wrongdoer. My argument is, that the answer given (with TER statements) is not wrong, but from a chemical

Re: [PyMOL] PyMOL help

2012-03-20 Thread Genedoc
Hani, You can these GUI commands: A (Action)---preset---ligand sites or A---find---polar contacts Hope this helps you! Peter syed.abidi skrev 2012-03-19 12:19: Dear All, I have a small query regarding PyMol and I would appreciate if you can help me with it. My query is: How do I

Re: [PyMOL] Editing of the pdb structure

2012-03-20 Thread Tsjerk Wassenaar
Shucks! So much for trying to keep the developer out of the wind. But he's a wrongdoer by PDB definitions anyway! So it would be best to modify the behaviour concerning writing of TER records. Feel free to file it as suggestion. Gotta love polemics! -- Next time I'll manage, David. Next time...

Re: [PyMOL] Editing of the pdb structure

2012-03-20 Thread David Hall
On Tue, Mar 20, 2012 at 8:44 AM, Tsjerk Wassenaar tsje...@gmail.com wrote: Hi Thomas, 'Wrong', certainly in the context it was given in, is a statement of judgment. It suggest that there is a failure in the functioning, and is a criticism to the developer, becoming a wrongdoer. My argument

[PyMOL] Pymol version compatiblity

2012-03-20 Thread Xiaoshan Min
Hi All, We have different versions of Pymol (1.4 and 1.5.0.3) on different computers, mainly due to some low end intel graphic chipset not able to support 1.5 version. I would like to know if there is an option to open in pymol 1.4 the pse files that were saved in pymol 1.5.  It is generally

[PyMOL] Please remove me from the mailing list

2012-03-20 Thread Purushottam Narute
Please remove me from the mailing list. I don't know how to unsubscribe from this mail. Thanks a lot. -- Purushottam Shivaji Narute, BVSc AH./DVM, MVSc (Biotechnology), PhD. Phone(C): 412-417-1591

[PyMOL] color only certain states

2012-03-20 Thread Jordan Willis
Hello, What I want to do seems so simple, I just can't find the documentation. Would anyone know how to just change the colors of only certain states when they are appended to the same object? For instance I have a simulation that shows atoms moving all over the place for states 1-300 and a

Re: [PyMOL] color only certain states

2012-03-20 Thread Jason Vertrees
Hi Jordan, Please see http://www.pymolwiki.org/index.php/Spectrum_states. Cheers, -- Jason -- Jason Vertrees, PhD PyMOL Product Manager Schrödinger, LLC (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 --

Re: [PyMOL] Error running Contact Map Visualizer Plugin

2012-03-20 Thread Tsjerk Wassenaar
Hi Suheila, What were the exact commands you used, and what error did it come up with? Just saying you tried mogrify and convert and the error was still there isn't very informative to us. Cheers, Tsjerk On Mar 18, 2012 2:39 PM, Suhaila Haji Mohd Hussin bell_beaut...@hotmail.com wrote: I