Rabeya Bosri

4 Questions 4 Answers 0 Followers

Questions related from Rabeya Bosri

Autodock vina, Docking ERROR: "Explicit valence for atom # 27 N, 4, is greater than permitted"- How to solve?

Hello, I am getting the error while converting a ligand sdf file to pdbqt format. How do I solve it? I got the error after I ran the following script mk_prepare_ligand.py -i L19.sdf -o...

31 January 2023 601 3 View

Product is dissolved in Boc. How can Crystallize the product that is dissolved in Boc?

I am very new to the organic chemistry lab. Recently I have synthesized a product where I used Boc2O as one of the starting materials. In order to push my reaction forward, I had to add more Boc2O...

13 January 2022 677 6 View

As there are different pdb file of same proteins in rcsb page, how I can choose the right one for my docking?

I tried docking same ligand with the same protein prepared from different pdb complex from rcsb page. They yielded different results. that made me wonder which pdb complex of the protein should I...

06 January 2022 354 7 View

How i can solve the following issue on autodock vina? "Configuration file parse error: unknown option energy range" ?

Autodock Vina- Error in docking

21 December 2021 6,721 1 View