Universidade Regional do Cariri
Question
Asked 3rd Jun, 2023
Hello, so i am new to docking. the problem is regarding the rmsd value when superimposing ligand on its output. can anyone help me with that?
i put the pdbqt files into autodock 1.5.7 to check the rmsd value. but one does not shows up and the other has a high value for model 1 even though its position more or less the same as model 2. Thank you in advance also i docked using vina if that helps.
All Answers (2)
Universiti Teknologi MARA
Hello Rubem, thank you for answering my question. However i tried the method that you pointed out and failed to make work, error message "NameError: name 'rms_cur' is not defined" pops out. I apologise for the inconvinience but can you help me with this further? This is my ligand and its output.
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