VMD Extension Functions
|
Functions | |
swapFrames molID frame1 frame2 | |
sortFrames molID values | |
Reorder frames by increasing RMSD to frame 0.
sortFrames | molID values | ||
Reorder all frames of molecule molID according to the numeric list values, where values is a list of real numbers whose length must equal the number of frames in the trajectory of molID. Frames will be permuted so that their new order corresponds to sorting values in ascending order. Internally, builds an indexList via lsort
and calls animate reorder
.
swapFrames | molID frame1 frame2 | ||
Swap the coordinates of two frames frame1 and frame2 for all atoms in the trajectory of molecule molID. In other words, for the loaded molecule (with ID molID), exchange the atomic coordinates stored at frame frame1 with those at frame frame2 entirely in memory. molID should refer to a molecule loaded in VMD (e.g. returned by mol new
), and frame1 and frame2 are zero‑based frame indices.