Re: [PyMOL] which PyMOL to open?

2017-04-21 Thread Jed Goldstone
The 3D stuff (Zalman, etc) is only if you're using 3D glasses. I typically use the Tk + console option that opens two windows (the GUI and a pythonesque console). Jed On Apr 21, 2017 2:16 PM, "AJ Vincelli" wrote: > Hello all, > > I hate to ask a dumb question, but I need some seriously novice h

Re: [PyMOL] (no subject)

2017-04-04 Thread Jed Goldstone
s.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > -- - Jed Goldstone, PhD Research Specialist Woods Hole Oceanographic I

Re: [PyMOL] electrostatic potential as cartoon?

2017-01-05 Thread Jed Goldstone
Vincent, You could use data2bfactor.py and then "spectrum b" to color residues in cartoon settings. https://pymolwiki.org/index.php/Color (data2bfactor from Robert Campbell's script repository: http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/ Jed On 1/4/2017 11:05 AM, vincent Chaptal wrote

Re: [PyMOL] coloring based on alignment

2015-10-28 Thread Jed Goldstone
Vaheh, You can modify the b-factor column, and color by b-factor. I have used various value-to-bfactor scripts, with different measures of alignment similarity. The one problem I've had is extending the Ca color to the rest of the residue in stick mode. Jed On Oct 28, 2015 3:34 PM, "Oganesyan, Vah

Re: [PyMOL] Pymol Mobile viewer?

2014-10-14 Thread Jed Goldstone
>>>> Hi Jason, >>>>>> >>>>>> Now what will come first? Pymol viewer for Android, for Mobile Windows >>>>>> or for iPhone? Would be so cool to show off at a conference, and use >>>>>> multi-tou

Re: [PyMOL] Molecular Visualisation in PyMol

2014-09-21 Thread Jed Goldstone
You could extract the flexible residues into one multistate object and use show all_states. So, you'd only be dealing with 2 objects - Ca and residues. Jed On Sep 21, 2014 3:23 AM, "James Starlight" wrote: > Dear Pymol users! > > > In this topic I've decide to put all questions regarding visuali

Re: [PyMOL] No wheel operation for the slab

2014-09-11 Thread Jed Goldstone
users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > -- Jed Goldstone, PhD Research Specialist W

Re: [PyMOL] combining multiple objects into one multistate object

2014-01-16 Thread Jed Goldstone
ombined_models", x, 1, -1) python end Cheers, -- Jason On Thu, Jan 16, 2014 at 9:28 AM, Jed Goldstone <mailto:jgoldst...@whoi.edu>> wrote: I know this seems silly, but I can't figure out how to combine multiple separate objects into one multistate object. I have a se

[PyMOL] combining multiple objects into one multistate object

2014-01-16 Thread Jed Goldstone
s like it should do this, but all the objects end up in the first state (and the cartoon representation is a subset of what it should be (other representations are fine). I'm using incentive v1.6.0.0 on Windows 7. Jed -- Jed Goldstone, PhD Research Specialist W

Re: [PyMOL] How to automate RMSD calculation for large no of structures

2014-01-07 Thread Jed Goldstone
L-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > -- Jed Goldstone, PhD Research Specialist Woods Hole Ocean

[PyMOL] Caver 3.01 with Pymol 1.6.0.0 on Windows 7

2013-11-07 Thread Jed Goldstone
t;C:\Program Files\PyMOL\PyMOL/modules\pmg_tk\startup\Caver3_0_1.py", line 638, in loadFileContent handler = open(file) : [Errno 2] No such file or directory: 'C:/Users/Jed/modeling/caver/caver_output/2/warnings.txt' -- Jed Goldstone, PhD Research

Re: [PyMOL] Write vector graphics of session

2013-01-15 Thread Jed Goldstone
ral researcher > Biocomputing Group > Department of Biological Sciences > 2500 University Drive NW > Calgary, AB T2N 1N4 > Canada > > > -- > Master SQL Server Development, Adminis

Re: [PyMOL] Set values for dihedral angles

2012-01-26 Thread Jed Goldstone
James- I think you need to seriously consider using software that's actually designed to compute and refine protein models, such as Modeller. There are forcefield and structural constraints that PyMol is just not designed to do, and your results may not have the scientific validity you require

Re: [PyMOL] RMSD calculation sans alignment

2011-07-22 Thread Jed Goldstone
age: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Jed Goldstone, PhD Research Specialist Woods Hole Oceanographic Institution Redfield 3-52 MS#32 Woods Hole, MA 02543 http://www.whoi.edu/

Re: [PyMOL] Logging the sculpt wizard

2011-03-23 Thread Jed Goldstone
You might want to try using Modeller instead. http://www.salilab.org/modeller/wiki/Mutate%20model It does higher level modelling. Jed Martin Hediger wrote: > Dear List > I'm trying to automate the following sequence of steps in a PyMOL python > script: > 1. Start the mutagenesis wizard > 2. Muta

Re: [PyMOL] CASTp plugin

2011-03-22 Thread Jed Goldstone
gt;> I have pymol 1.3 (windows7 64bit) >> >> and I got: >> >> ImportError: Bad magic number in C:\Program Files >> (x86)\PyMOL\PyMOL/modules\pmg_tk\startup\CASTpyMOL_v2.pyc >> Error: unable to initialize plugin 'CASTpyMOL_v2'. >> >>

[PyMOL] using pymol on a remote server

2010-10-29 Thread Jed Goldstone
etely unfamiliar with this, and do not know how to implement it (my desktop runs PyMol 1.2r1 on Windows XP). Would this be an appropriate solution? Would it work to call remote plugins? Jed -- ---- Jed Goldstone, PhD Research Specialist Woods Hole Oceanographic Institution

Re: [PyMOL] some help

2010-05-26 Thread Jed Goldstone
- > > ___ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mai

Re: [PyMOL] PC based docking program!

2010-05-07 Thread Jed Goldstone
nfo/pymol-users > Archives: > http://www.mail-archive.com/pymol-users@lists.sourceforge.net > > > > > -- > > > > > ___ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Ar

Re: [PyMOL] coordinates

2010-03-22 Thread Jed Goldstone
e of pymol. Apologies to the list, Jed Robert Campbell wrote: > Hi Jed, > > On Mon, 22 Mar 2010 10:23:34 -0400 Jed Goldstone wrote: > > >> Of course, you could just use the .pdb file as a text file: >> >> grep CA .pdb | cut -f 2,4,7,8,9 >> >> will

Re: [PyMOL] coordinates

2010-03-22 Thread Jed Goldstone
-- >> Download IntelĀ® Parallel Studio Eval >> Try the new software tools for yourself. Speed compiling, find bugs >> proactively, and fine-tune applications for parallel performance. >> See why Inte

[PyMOL] Autodock/Vina Pymol Plugin Windows problem

2010-01-07 Thread Jed Goldstone
all__ return apply(self.func, args) File "C:\Program Files\PyMOL/modules\pmg_tk\startup\autodock.py", line 1800, in select_flexible_residues receptor_object = self.receptor_dic[rec] : '' Jed -- Jed Gold

[PyMOL] pymol autodock plugin

2009-08-13 Thread Jed Goldstone
: No module named Numeric Error: unable to initialize plugin 'autodock'. Any help would be greatly appreciated. Jed ------ Jed Goldstone Research Specialist Woods Hole Oceanographic Institution Redfield 3-

[PyMOL] fill a cavity with a closed polygon

2008-09-07 Thread Jed Goldstone
? -- Jed Goldstone Visting Investigator Woods Hole Oceanographic Institution Redfield 3-52 MS #32 Woods Hole, MA 02543 http://www.mit.edu/people/jedgold/home.html (508) 685-2253 (cell/home) (508) 289-4823 (work/WHOI)