Re: [PyMOL] antibody design

2014-04-04 Thread Thomas Holder
Hi Bertha, can you rephrase your question? I'm not sure if anyone understood what you try to achieve. Also, I'm not sure if this will be a PyMOL task at all. Cheers, Thomas On 03 Apr 2014, at 14:07, Martin, Bertha wrote: > Good afternoon, > > I am designing an antibody and in doing so, I

Re: [PyMOL] manual superposition with pymol

2014-04-04 Thread Thomas Holder
Hi Suzanne, looks like you only deprotected the CA atoms. If you have this as a named selection, try "A > modify > complete > molecules" and deprotect again. Or type: PyMOL> deprotect bymol (sele) Instead of working with one object and protecting/deprotecting of subsets of atoms, I suggest to

Re: [PyMOL] Plotting a rectangle to show clipping slab

2014-04-04 Thread Thomas Holder
Hi Tom, PyMOL provides a low-level scripting API to load geometry as "compiled graphics objects" (CGO). To learn how to draw a rectangular plane, have a look at examples/devel/cgo_plane.py in the PyMOL installation (or source) directory. Hope that helps. Cheers, Thomas On 31 Mar 2014, at 03

Re: [PyMOL] pymol does not free-up the RAM when objects are deleted

2014-04-04 Thread Osvaldo Martin
Thanks Thomas! As a workaround I will divide my data in smaller chunks. Cheers, Osvaldo. On Fri, Apr 4, 2014 at 4:54 PM, Thomas Holder wrote: > Hi Osvaldo, > > you are right, I can reproduce this. We'll look into it and let you know > when it has been fixed. > > Cheers, > Thomas > > On 02

Re: [PyMOL] Script from command line invoking plugins

2014-04-04 Thread Thomas Holder
Hi Matt, plugins are not loaded automatically in headless mode. You have to import your plugin first if you want to use it from a script. Something like: import pmg_tk.startup.yourplugin The plugin manager tells you the python module name of your plugin when you click on "Info". Cheers, Tho

Re: [PyMOL] pymol does not free-up the RAM when objects are deleted

2014-04-04 Thread Thomas Holder
Hi Osvaldo, you are right, I can reproduce this. We'll look into it and let you know when it has been fixed. Cheers, Thomas On 02 Apr 2014, at 20:30, Osvaldo Martin wrote: > Hi, > > I need to run an script based on PyMOL for a thousands of proteins. The > problem is that even when I delet

[PyMOL] manual superposition with pymol

2014-04-04 Thread Lapolla, Suzanne M (HSC)
I am using pymol 1.3 and having trouble with doing manual superposition with my structures. I am able to download my structures, select the portion I want to move manually and, after deprotecting it using the action menu move it using the shift-mouse editing command. When I do this with my selec