You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Currently, GOpt can output a series of chemically relevant numerical structures (e.g., structures along the intrinsic reaction coordinate; optimization trajectories), but there is no interface to visualize these structures or perform structural or chemical analysis of them. We should generate visualization scripts for ChimeraX (probably through SEQCROW), which can provide animations of reaction pathways and optimization trajectories.
Expected Results: Add functionality to GOpt to generate visualization scripts.
The text was updated successfully, but these errors were encountered:
Currently, GOpt can output a series of chemically relevant numerical structures (e.g., structures along the intrinsic reaction coordinate; optimization trajectories), but there is no interface to visualize these structures or perform structural or chemical analysis of them. We should generate visualization scripts for ChimeraX (probably through SEQCROW), which can provide animations of reaction pathways and optimization trajectories.
Expected Results: Add functionality to GOpt to generate visualization scripts.
The text was updated successfully, but these errors were encountered: