I'm using Autodock vina or molecular docking, now I'm doing a research on platinium complexes, but I can not dock these compounds using autodock vina?? how can I do it?? thank you very much for your answers.
Vina uses internal parameters and there is no parameter for Pt atom. You can try AutoDock instead of Vina and use parameter file including parameters for Pt. You can load this parameter file under Docking --> Other options --> AutoDock parameters menu prior to docking.
You have to add Platinium parameters into AutoDOck or vina. For vina it is not easy to do this so I recommend using AutoDock for you. After docking process sometimes autodock can put "C" atom instead of metal. You may will have to correct this manually and also you may will get some errors but it is easy to fix. Here is my article I docked 3 metal complex using Autodock. I think it can help you ( in this article I used UFF parameters for metals. even if UFF is a non-bonded force field you can use it in bonded-force field as nonbonded parameters too if you find, OPLS will be better. Personally I used UFF in Autodock because it was really hard to find OPLS parameters) : Article Synthesis, Characterization, Dna Interaction And Docking Stu...
* before, you must manually download and change the .dat file by adding these coordinates (atom_par Pt 2.75 0.080 12.000 -0.00110 0.0 0.0 0 -1 -1 1 # Non H-bonding).
Output >> save GPF
use a terminal or ADtools to perform the autogrid calculations.
step 2
macromolecule >> set rigid filename
ligand >> choose
Search paramenter >> Genetic alghorithm
Docking paramenters >> ok
Other options >> include (X) yes >> type in the text box - the name of the .dat file.
Output >> Lamarckian GA (4.2)
use the terminal or adt to finish docking with autodock4.