Re: [PyMOL] 2 colors for transparent surface and cartoon

2004-10-13 Thread Tsjerk Wassenaar
Hi Gabriel, You can set a specific color either for the surface or the cartoon with set surface_color, color set cartoon_color, color or if you want to have more control over the colors you can create a new object and show one in cartoon and the other in surface: create newobj, obj show

[PyMOL] apbs map size

2004-10-13 Thread Lari Lehtiö
Hi, I have a problem with apbs in pymol. I got it to work fine, if I cutted a 100 aminoacid stretch from my molecule and followed the instructions. However my protein is a bit bigger, ~800aa, and I cannot get the apbs map to cover my molecule. I get the whole surface, but only half of it is

[PyMOL] molecular Mechanics calculations

2004-10-13 Thread Gabriel PAËS
Hi PyMolers Is it possible to make some basic molecular mechanics calculations in PyMOL, in fact I would like to measure the binding energy between a protein and various ligands? Thanks in advance Gabriel Gabriel PAËS PhD Student The Danish University of Pharmaceutical Sciences

[PyMOL] PyMol and Virtual Reality

2004-10-13 Thread Stein Jakob Nordbø
Hi! We are working on a project creating an OpenSource-library for a Virtual Reality gloves/positioning device-combination that is going to be integrated with a data analysis tool. However, the program is not in a state where we can integrate our work yet, so we will create a prototype to

[PyMOL] rtools again (strange...)

2004-10-13 Thread Rummey, Christian
Hi again, 1st of all thanks to Kristian -- the time.sleep(1) hint works fine. Maybe you can help me with this one also: calling a pdb file via pdb CODE usually checks if the file has already been downloaded and if yes, takes it from the local repository. however, calling this command from a

[PyMOL] translating map/mesh

2004-10-13 Thread Viktor Hornak
Hello, I loaded an Xplor map and created a mesh: load grid.xplor, map1 isomesh mesh1, map1, 30 Now I need to translate the mesh by 1.0A in all three directions (x,y,z). In other words, I need to shift the mesh object by some offset vector. Is there any way to do that in pymol? It seems like

[PyMOL] showing apbs map from a script

2004-10-13 Thread Osborne Michael
HI everyone I'm pretty new to pymol and I'm trying to show an electrostatic surface. I have managed to use the apbs plugin to do this - however I REALLY want to be able to do this from a .pml script since this would make it easier to do some movies. Anyone have any ideas how to do this? Thanks