Re: [PyMOL] scripting: pymol.session

2015-01-30 Thread Thomas Holder
Hi Christian, the pymol.session variable is not really part of the API -- means, not intended to be modified or accessed by the user. However, it's all Python and obviously not hidden, so you can mess around with it, if you do it right. Short answer is: Always access it as "pymol.session", don'

Re: [PyMOL] scripting: pymol.session

2015-01-30 Thread Christian Becke
Works perfectly, thanks a lot! On 30.01.2015 21:31, Thomas Holder wrote: > Hi Christian, > > the pymol.session variable is not really part of the API -- means, > not intended to be modified or accessed by the user. However, it's > all Python and obviously not hidden, so you can mess around with it

Re: [PyMOL] Bug in Save Molecule dialog box

2015-01-30 Thread Thomas Holder
Hi Matthew, good catch, we'll fix that. Cheers, Thomas On 28 Jan 2015, at 17:43, Matthew Baumgartner wrote: > Hi, > I've discovered a (relatively minor) bug in the Save Molecule... dialog > box. This happened because I always have tons of windows up on multiple > monitors and it got lost.

Re: [PyMOL] apbs error (Error in background function)

2015-01-30 Thread Thomas Holder
Dear Matic, the only option to permanently store those paths is to edit the plugin file. Look for "apbs_tools.py" in the PyMOL installation directory and there for "Global config variables". Cheers, Thomas On 30 Jan 2015, at 00:33, Matic Kisovec wrote: > Dear Thomas, > > thank you for you

Re: [PyMOL] Phosphoserine

2015-01-30 Thread Thomas Holder
Hi Monica and Andreas, you can also do this with the builder. 1) http://pymolwiki.org/index.php/Builder 2) Click "P=O3" (Phosphite) 3) Click the Serine OG atom Cheers, Thomas On 30 Jan 2015, at 12:14, Andreas Warnecke <4ndreas.warne...@gmail.com> wrote: > Hi Monica, > > You can check out th

Re: [PyMOL] Phosphoserine

2015-01-30 Thread Andreas Warnecke
Hi Monica, You can check out the plugin PyTMs, which allows you to introduce PTMs into protein models within PyMOL: http://www.pymolwiki.org/index.php/Pytms Let me know should you need any assistance with this plugin. Cheers, Andreas On Fri, Jan 30, 2015 at 4:59 PM, Monica Mittal wrote: >

[PyMOL] Phosphoserine

2015-01-30 Thread Monica Mittal
Hi, Does any one know if there is a simple way to mutate a serine to a phosphoserine using pymol? Or what would be the best way to achieve this? Thanks Monica -- Dive into the World of Parallel Programming. The Go Parall

[PyMOL] isosurface removal

2015-01-30 Thread Andrew Voronkov
Dear PyMol, I am doing now one of the Open3D QSAR tutorials and have the problem that I need to remove the colored surfaces. http://open3dqsar.sourceforge.net/?Tutorials I can't find how to do it. Can you please recommend me how can I remove the colored isosurface (isosurf command)? Best regard