hello,
I want to calculate RMSD of docked multi ligand with a protein using MOE. Please can you suggest how I can calculate this?
In obtained *.mdb file with the ligand poses you must use:
compute > molecule > conformational geometries (you will see new window) > Superpose.
Note, that every ligand must be docked separately and all dock positions will be measure with first ligand position in your *.mdb file.
Another way to do that is to use the attached svl file obtained from the chemcomp svl exchange.
Hi,
I hope you could help me as I am facing the same problem?
Thanks
Dear Shorok.
I used SVL option to calculate my rmsd. Its easier one. Check your inbox i sent you detail there.
hello
im trying to use the svl method but the rmsd column is empty
do you know what is the problem?
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