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