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News & Updates New Plugin CavitOmiX calculate Catalophore™ Cavities, predict protein structures with OpenFold by NVIDEA-BioNeMo, ESMFold and retrieve Alphafold models Official Release PyMOL v2.5 has been released on May 10, 2021. Python 3 New Python 3 compatibility guide for scripts and plugins POSF New PyMOL fellowship announced for 2022-2023 Tutorial Plugins Tutorial updated for PyQt5 New Plugin PICv is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe Selection keywords New polymer.protein and polymer.nucleic selection keywords. Thanks everyone who participated in the poll! Plugin Update MOLE 2.5 is an updated version of channel analysis software in PyMOL New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons Older News See Older News.

Did you know... Smooth Smooth performs a window average of coordinate states. Usage smooth [ selection [, passes [, window [, first [, last [, ends]]]]]] # for example, smooth and object with 30 passes and # a window size of 100. smooth myObj, 30, 100 ends = 0 or 1: controls whether or not the end states are also smoothed using a weighted asymmetric window To see smooth in context see this example NOTES This type of averaging is often used to suppress high-frequency vibrations in a molecular dynamics trajectory. This function is not memory efficient. For reasons of flexibility, it uses two additional copies of every atomic coordinate for the calculation. If you are memory-constrained in visualizing MD trajectories, then you may want to use an external tool such as ptraj to perform smoothing before loading coordinates into PyMOL. See Also Load_Traj, protect.

A Random PyMOL-generated Cover. See Covers.