[PyMOL] symexp in scripts

2002-11-25 Thread Cynthia Fuhrmann
Warren, I am able to create symmetry-related molecules by typing the symexp command into the PyMol window interactively, but including the identical command in my script (see below) does not work. This is frustrating, as I need to create H-bonds to the symmetry molecules, and now must type a

RE: [PyMOL] Re: PyMOL-users digest, Vol 1 #218 - 1 msg

2002-11-25 Thread DeLano, Warren
Kelley, Unfortunately PyMOL doesn't have object-specific Z-clip. (That is a cool idea though, perhaps in the future...) The closest thing to this you can accomplish is to selectively show or hide the surface on certain atoms in order to create a view which shows the full ligan

[PyMOL] Suggested Topics for the Manual

2002-11-25 Thread DeLano, Warren
As some of you may already know, we now have a freelance writer working with us to rewrite/improve the PyMOL manual. This has been made possible through the contributions of PyMOL licensees (specifically: Shering-Plough, Incyte, Pfizer, Karo-Bio, as well as many other small contributors -- t

[PyMOL] Re: PyMOL-users digest, Vol 1 #218 - 1 msg

2002-11-25 Thread Kelley Moremen
Hi Carsten, I appreciate your reply and I would assume that it makes impressive graphics, but it sounds WAY beyond my meager abilities (I am struggling with the Mac OS X version of Pymol after all and haven't ventured into the realm of raster3D yet). I assume that since there has been a resoundin

Re: [PyMOL] settings of ribbons and cartoons

2002-11-25 Thread Jules Jacobsen
Hi Kristl The problem is that the secondary structure of your protein hasn't been defined in the PDB file. This is why the cartoon looks ike a tube. What you need to do is type util.ss into the command line and this will calculate some sort of secondary structure for you although it's not that acc

Re: [PyMOL] settings of ribbons and cartoons

2002-11-25 Thread Kadmon
Have you set your sheet and helix part in your pdb? For my personal case, things you experienced happened when this part wasn't built. I guess that PyMOL cannot find the secondary structures as softwares like Rasmol can. Try to determine your secondary structures with DSSP for example and to paste

[PyMOL] settings of ribbons and cartoons

2002-11-25 Thread Kristl Adams
Where can I find a list of what I can set with regard to ribbons and cartoons. Currently the cartoons command just shows a thin round tube and the ribbons command shows just a thin line. I'd ideally like to have cartoonishly round ribbons with some of the residues on them drawn in sticks. I'm a

[PyMOL] selecting specific hetatm's

2002-11-25 Thread chuitema
Hello, while this is a simple question, I can't seem to find the answer anywhere. How do I select a specific hetatm: The pdb file says: HETBCL C 1 51 HETBCL C 2 66 HETBCL C 3 66 HETBCL C 4 66 HETBPH C 5 51 HET

RE: [PyMOL] Selective Z-clipping

2002-11-25 Thread Schubert, Carsten
Hi Kelley, I just worked out a procedure to do this with VMD/Raster3D (oops, this is the PyMol list ...). Anyhow, it boils down to that you can apply selective bounding or clipping planes in Raster3D. In the case of a clipped surface you want to use a bounding plane, which slices through an object