[PyMOL] Bond lengths

2006-01-03 Thread Andy Cheesman
Dear People, I was wondering if if people could recommend 1) a way of generating all bond lengths and bond angles for a molecule automatically(atm I'm using the measurement wizard) 2) a method for increasing the size of the font produced by the measurement wizard If I have missed

Re: [PyMOL] Saving Images

2006-01-03 Thread Joel Tyndall
If you would like appropriately scaled images then you can set up your viewer to the appropriate dimensions eg for a square viewport 700,700 or rectangle viewport 800,400 If using a square I then use ray 1800,1800 this ray traces an image larger than your pymol window and allows you to

[PyMOL] Ray, png

2006-01-03 Thread David A. Horita
Hi, On the subject of larger image sizes, I had a question a while back; I'd like to know if it's been addressed or anyone has a quick(er) workaround- Basically, is there in inverse to the viewport command? i.e., if I manually resize the Pymol window to fit around the molecule I'm displaying, how

RE: [PyMOL] Ray, png

2006-01-03 Thread Warren DeLano
David, In recent builds, you don't need to specify both dimensions for the ray command -- just give it height or width and it will compute the other based on the current aspect ratio. Regardless, to get the current window, here is one way: print cmd.get_session()['main'] Cheers, Warren --

[PyMOL] ray

2006-01-03 Thread Terry Jones
Here's another question about ray. At what level in pymol is it implemented? Is it part of what's provided by OpenGL, or done at some higher/other level? Terry

[PyMOL] Drawing surfaces in pymol?

2006-01-03 Thread Terry Jones
I've been using PyQt/Coin/SoQt/pivy to draw surfaces using SoNurbsSurface. I'm wondering if something like this is possible in pymol? I.e., I specify a set of points in 3D space and use pymol to lay an interpolated surface over them. I don't want the surface to fully envelop the points in the

RE: [PyMOL] Drawing surfaces in pymol?

2006-01-03 Thread Terry Jones
| This isn't really something PyMOL was designed to do. You could construct | such a surface using Python CGO facility, but that means doing the | tesselation, surface normal calculation, and any culling yourself. Thanks. Is this what you do already in pymol to make surfaces that envelop points?

[PyMOL] Feedback on New Macs w/ Stereo3D

2006-01-03 Thread Warren DeLano
MacPyMOL Users, If you've recently bought a Stereo 3D-equipped G5 Single/Dual/Quad for running MacPyMOL and other scientific codes, please let me know -- I'd like some candid real-world feedback on how well these systems are performing... Cheers, Warren -- Warren L. DeLano, Ph.D.