Re: [PyMOL] fitting problem

Hi Sébastien, On Mon, 02 Mar 2009 18:21:15 +0100, sconill...@chimie.u-strasbg.fr wrote: > Hi all (for the second time today ...), > > I have a problem using the "fit" function. When I try to do this : > > > fit (fittest1 and resn P and !h.), (2VT4 and resn P and !h.) > > I have this message er

Re: [PyMOL] Pymol and NumPy

Hi, I recognise that code comment :) Actually, it seems that pymol now includes numpy, I will change my script and see if it still works. In the meantime, if you just want axially-aligned bounding boxes, try this script (not by me): http://www.pymolwiki.org/index.php/DrawMinBoundingBox at le

[PyMOL] Screen Saver

I was wondering if anyone ever wrote a screen saver for viewing molecular files or trajectories? I would like to integrate one into a distributed computing project. -- Jack

[PyMOL] fitting problem

Hi all (for the second time today ...), I have a problem using the "fit" function. When I try to do this : fit (fittest1 and resn P and !h.), (2VT4 and resn P and !h.) I have this message error : "ExecutiveRMS-Error: No atoms selected." which seems very strange to me because doing something

[PyMOL] select by absolute coordinate

I quickly checked the selection algebra and property selector wiki pages and couldn't find anything related to this. Is it possible e.g. to select all atoms with (absolute) z - coordinates greater than 5A? Best Martin

[PyMOL] Pymol and NumPy

Hi all, I would like to use a script found on the PyMol wiki that uses NumPy so I need to install it. It's written at the top of the script that : "#NOTE!! : These packages (numarray, Scientific) must be present in pymol's #'$PYMOLDIR/py23/lib/python2.3/site-packages/' directory!!" I did some