Re: [PyMOL] bonds in ligands for MD simulations?

2015-03-03 Thread Thomas Holder
Hi Vincent, can you load the 400 copies of your ligand into the same object? For example by creating a multi-model PDB file, or using a trajectory format. In that case, the 400 conformations will share the topology (the atoms and bonds) and you only have to form the bond once. Also, the

[PyMOL] bonds in ligands for MD simulations?

2015-02-25 Thread vincent Chaptal
Dear everyone, I have a MD simulation of coarse grain molecules, therefore not defined as typically for normal protein/ligands, but as beads. I want to represent it using Pymol, and need to define bonds between the beads. The problem is that I have 400 copies of my ligand, and all with the

Re: [PyMOL] bonds persisting in movie

2007-09-10 Thread Tsjerk Wassenaar
Hi kmeatball, If you append all structures to the same model, which is what you do by loading each under the same name into different states, the connectivity will be determined by the first state. That is, the topology information (read bond map) is global, and applies to all states. If you want

[PyMOL] bonds persisting in movie

2007-09-09 Thread Killer Meatball
Hi, I'm loading a sequence of .pdb files into a movie using the script: for file in file_list: cmd.load(file,mov) cmd.mset(1 -%d%len(file_list)) The problem is that some bonds (conect records in the .pdb files) are persisting in the movie even after they are no longer in the

[PyMOL] Bonds or lines with user set colors..

2005-08-01 Thread Tarak Upadhyaya
Hey I'm trying to make bonds.. or lines/connections between the C-alphas of various residues. I found that bond can do this, however the bond color is adopted from the color of the atoms that the bond connects. Is there a way to isolate a bond object and set the color of it independent of the

[PyMOL] Bonds

2003-06-27 Thread Tsjerk Wassenaar
Hi all! I've written a script to position all atoms into a simulation box, but the connectivity stays, thus generating a beautiful image of bonds all across the box. Though not too clear. Is there a way to update the connectivity directly (other than saving the coordinates and reloading)?