[PyMOL] How to delete/hide unwanted poses in Pymol?

2023-11-09 Thread Luigi Marongiu, PhD via PyMOL-users
Hello, I have several poses from a docking to a protein and I have different ligands to compare. I can load on PyMol the different ligands on a same protein file, and I can look at each pose for the different ligands but only, let's say, in sync: pose 1 of ligand 1 together with pose 1 of

Re: [PyMOL] How to delete/hide unwanted poses in Pymol?

2023-11-09 Thread Norbert Straeter
Hi Luigi, that depends on how the data are read into PyMOL and how the coordinate files are structured. For example, if you read in a pdb file ligand1.pdb, which contains this ligand with different poses having different residue numbers and next you read in a second pdb file for the second

Re: [PyMOL] Dss when creating movie from dcd traj

2023-11-09 Thread Norbert Straeter
Hi Effie, try to load the trajectory with the option discrete=1: load trajectory.dcd, discrete=1 Best, Norbert Am 09.11.2023 um 19:38 schrieb Effie Artikis: Hello, I’ve uploaded my MD simulation and am trying to create a movie but I’ve noticed that when I play the MD simulation, the

[PyMOL] Dss when creating movie from dcd traj

2023-11-09 Thread Effie Artikis
Hello, I’ve uploaded my MD simulation and am trying to create a movie but I’ve noticed that when I play the MD simulation, the secondary structure isn’t updated frame by frame. For example, although it is an unfolding simulation the protein maintains the secondary structure of the initial frame