Hello,
I want to dock a molecule including boron atom. Autodock is very slow so I want to use vina.exe instead of it. I change atom_constans variables in the source code. But after that I couldn't compile vina from source code. I installed boost, changed variables in "makefile" but it didn't work.
Hi Baris,
I dont understand why Autodock runs slow, usually runs very fast for most systems, how big is your ligand? Did you substitute the boron in the ligand with a similar atom already present in the vanilla forcefield? This reference provides informations about more programs that can be useful for docking calculations including boron atoms.
Article Advances in Theoretical Studies on the Design of Single Boro...
Dear Martiniano, thank you soo much for your answer. My ligand is not so big but I have more than 100 ligands and I need to finish it very fast. The article you provided seems pretty good, after I read I will update my answer if still I need help. Thank you soo much again.
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