Coordset plays through frames of a trajectory previously loaded into Chimera. See the video mini-example. See also: morph, play, MD Movie, movie-related commands
Model-spec is the model number of the trajectory, preceded by #. A comma-separated list or range of model numbers can be used to specify multiple trajectories at once. Atoms to hold as steady as possible upon frame updates can be specified using the holdSteady keyword.
Supplying only one frame number without commas indicates simply going to that frame. A positive number is taken literally, whereas a negative number N is interpreted as the Nth-to-last frame.
The coordset command and MD Movie graphical interface are integrated, in that frame updates with the command will be reflected in the graphical interface, and hold-steady and per-frame operations specified in the graphical interface will be applied during playback with the command.
Examples: coordset #0 10 (go to frame 10 of trajectory model #0) coordset #0 -10 (go to the 10th-to-last frame)Supplying comma-separated frame numbers or even commas without preceding numbers indicates playing from start (default is the current frame) to end (default is the last frame) in increments of step. The default step is 1 if start < end, –1 if start > end, determined after any negative frame numbers are converted to the corresponding actual frame numbers. The loop option indicates repeating playback N times, wrapping directly from end to start.
Examples: coordset #0 1,21 holdSteady @ca (play from frame 1 to 21 of trajectory model #0, holding CA atoms steady) coordset #0 1, (play from frame 1 to the end) coordset #0 ,15 (play from the current frame to 15) coordset #0 ,,5 (play from the current frame to the end, every 5th frame) coordset #0 21,1 (play from frame 21 to 1, backwards) coordset #0 -1,1,-10 (play from the last frame to the first, every 10th frame, backwards)
If a protein or peptide is displayed as a ribbon with secondary-structure-specific scaling (width and height) and significant conformational changes are occurring, users may want to reassign secondary structure at each frame. This can be done with the command perframe in combination with alias and ksdssp, for example:
alias ^redefine ksdssp #2 perframe redefine coordset #2 1,21; wait 21; ~perframe