good afternoon. i’m currently conducting molecular docking studies for my final year research. to view the ligand-protein interaction, i used both pymol (for 3D visualization) and discovery studios (for 2D diagram). however, there are certain cases where the type of interactions is different, for example, when viewed in pymol, it showed yellow lines which is hydrogen bonding interaction. but when i viewed in DS, it only shows van der waals interactions in 2D diagram. so is there any difference on how these two software detect the interactions. if so, is there any recommendations to solve these problems. any help is much appreciated, thank you.
User Changed status to publish November 23, 2024