Contents
[command] cd output/trajectory
[command] load trajectory.gro, mytraj
[command] load_traj traj.xtc, mytraj
Click salmon color play button (triangle) in right bottom to play
(reference) https://pymolwiki.org/index.php/Load_Traj
[menu] Tools -> MD/Ensemble analysis -> MD Movie -> Trajectory format = GROMACS
Run input (.tpr) = output/trajectory/for_cryo_fit.tpr
Trajectory (.xtc) = output/trajectory/traj.xtc
OK
(optional)
[menu] Tools -> Depiction -> Rainbow -> OK
[menu] File -> Open -> .../user.mrc (set opacity into 50%)
[menu] Presets -> Publication 1
(in MD Movie) click black play button to play
(in MD Movie) File -> Record Movie, to record as .mp4 file
[menu] File -> Open -> .../output/cryo_fitted_chain_recovered_cleaned_for_real_space_refine_molprobity.pdb
[command] rainbow
[menu] File -> Open -> .../user.map (set opacity into 50%)
[command] cd <user_path>/output/trajectory
[command] open traj.xtc structureModel #1
(note) Specified structure and coordinates should have the same number of atoms, if these are mismatched, I recommend to use Chimera instead
[command] coordset slider #1
Click black play button to play
Click red record button to record movie as .mp4 file
[menu] File -> New Molecule -> Browse -> (.../user.map) -> Load
[menu] Graphics -> Representation -> Draw -> Solid Surface
[menu] Graphics -> Representation -> Material -> Transparent
[menu] Graphics -> Representation -> Show -> Isosurface
[menu] File -> New Molecule -> Browse -> (output/trajectory/trajectory.gro) -> Load
If the cryo_fit has been automatically repeated to improve cc, the trajectory file shows only the last cryo_fit run.
Therefore, to watch a full change of conformations, "phenix.cryo_fit user.mrc user.pdb no_rerun=True number_of_steps_for_cryo_fit=<enough step>" is recommended.