Re: [PyMOL] Visualisation of protein-ligand interactions in pymol

2012-06-14 Thread James Starlight
Thomas, thanks this works perfect. Jason, I've tested this script on my system ( this is the membrane protein inserted in the bilayer surrounded by two water layers ( up and down ). During simulation individual water mollecules move into the protein interiour ( in that case protein like a water

Re: [PyMOL] 60-mer virus capsid (need computing power!)

2012-06-14 Thread Tsjerk Wassenaar
Hi Shane, I've been playing with a virus 60mer on an intel core i7 workstation with 6Gb memory with good response. Just make sure you use the latest incentive or open source version and have a good graphics card. Cheers, Tsjerk On Jun 14, 2012 11:49 PM, "Shane Neeley" wrote: Hi, Does anyone

Re: [PyMOL] Usage Specification

2012-06-14 Thread Thomas Holder
Hi Sean, the usage message is generated by introspection, so with your implicit arguments declaration it's not possible to get an informative usage message. But you can add a docstring which will be displayed with "help test" instead of "test ?". def test(*args, **kwargs): ''' DESCRIPTION

[PyMOL] 60-mer virus capsid (need computing power!)

2012-06-14 Thread Shane Neeley
Hi, Does anyone use pymol for very large structures, such as a full virus 60-mer capsid? If so, what processing power, memory, graphics card, etc. do you need to render these large files and manipulate them without any slowing? PyMol takes about 1 minute to think after trying to spin one of these

Re: [PyMOL] 3D projector for low cost 3D Protein Cave

2012-06-14 Thread Sabuj Pattanayek
> 2) Is anyone out there succesfully running a 3D projektor using the DLP > Link option (white flash in between images to sync the glasses). Is this > technique being used at all (for true stereoscopic 3D software such as > Pymol, Coot, Yasara, etc.) by anyone? Yes, we have theInfocus IN3116 which

[PyMOL] low-cost 3D protein Cave

2012-06-14 Thread mesters
Hi, I am planing to purchase a LOW-COST "3D Protein Cave" consisting of a 3D capable projector (720p @ 120Hz or DLP 3D Ready?) and a windows 7 computer with a quadro 2000 card. However, I am a bit sceptic about the sync problem which leads to ghosting. main Questions: 1) Is anyone out there s

[PyMOL] GLSL Shaders

2012-06-14 Thread Shiven Shandilya
Hi fellow PyMOLers, Thought some of you may be interested in this: http://pymolwiki.org/index.php/GLSL_Shaders Test, improve, share ... :-) Cheers!! -- Shiven -- Live Security Virtual Conference Exclusive live eve

Re: [PyMOL] Usage Specification

2012-06-14 Thread Tsjerk Wassenaar
Hi Sean, The pymol syntax for getting help on a command is "help command". I think it is a wrapper around the python help function, for which the syntax is "help(command)". In your case, it would only show something like: test(*args,**kwargs) You can write a docstring, e.g. similar to the ones i

[PyMOL] Usage Specification

2012-06-14 Thread Sean Law
Hi PyMOL Community, I have a PyMOL script that I have written that starts with the following kind of format: -from pymol import cmdfrom re import * def test (*args, **kwargs): var1=0 sel="" for key in kwargs:if (key == "var1"): var1=int(kwargs["var1"]) elif (key