Re: [PyMOL] manual superposition with pymol--and another question

2014-04-08 Thread Spencer Bliven
Suzanne, There isn't an easy way to do this, as far as I know. `pair_fit` can be used to do a superposition based on an arbitrary alignment, but it is very tedious to specify each aligned pair individually, and it's hard to modify the alignment. I've used NCBI's Cn3D program for detailed manual a

[PyMOL] boundaries/outlines of overlapping regions on surface

2014-04-08 Thread Sridharan, Sudharsan
Hi all, I'd like to colour different regions on the same protein surface but also draw the outlines/boundaries of these regions as well to show where they overlap (I guess I could colour the common residues in a different colour but I don't want to do that!). Can someone please let me know how

Re: [PyMOL] boundaries/outlines of overlapping regions on surface

2014-04-08 Thread Schubert, Carsten [JRDUS]
Sid, I'm guessing here, but may be coloring by properties (new in 1.7) may be the way to go. Usually I would color the residues and if you want to show the underlying residues I would just make another object for those. HTH, Carsten From: Sridharan, Sudharsan [mailto:sridhar..

[PyMOL] Deadline is approaching: CCP4 crystallographic summer school in USA, at APS, June 24-July 2

2014-04-08 Thread Sanishvili, Ruslan
Dear Colleagues, We would like to remind you that the application deadline for the annual CCP4/APS Crystallographic Summer School in at the end of this week. The original announcement with some useful details is below. With best wishes, Garib, Ronan and Nukri Ruslan Sanishvili (Nukri) Macromolec

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

2014-04-08 Thread Thomas Holder
Hi Osvaldo, the memory leak has been fixed in SVN rev 4074. Cheers, Thomas On 04 Apr 2014, at 15:54, 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 Apr 2014, at 20:3

Re: [PyMOL] noInvalidateMMStereoAndTextType flag

2014-04-08 Thread Thomas Holder
Hi David, the text_type invalidation problem has been fixed in SVN rev 4074. Cheers, Thomas On 23 Mar 2014, at 22:18, David Osguthorpe wrote: > On Sun, Mar 23, 2014 at 06:02:32PM -0400, Thomas Holder wrote: >> Hi David, >> >> very well analyzed. You are right that noInvalidateMMStereoAndTex

Re: [PyMOL] boundaries/outlines of overlapping regions on surface

2014-04-08 Thread Sampson, Jared
Hi Sid - I don’t think there is a way to accomplish this directly in PyMOL, but you can get partway there using the `ray_trace_mode` setting and named selections for the various regions you wish to depict. http://pymolwiki.org/index.php/Ray#Modes Ultimately, you’ll need to create a composite