Arkajit De

Use Open Babel (https://sourceforge.net/projects/openbabel/) software to convert the format of ligands. Download this software and convert the ligands before loading the ligand into PyRx .

Use Open Babel (https://sourceforge.net/projects/openbabel/) software to convert the format of ligands.

Respected Sir, I am facing a problen while docking a big size protein having 800-950 amino acid residues with a peptide. I have already done many docking using Pyrx but they were mostly having smaller amino acid residues But while working with big size protein I am facing the problem. The problem is taking while autodock vina is analyzing the binding site and going to give the result it is taking around 12 hours to reach 10%. Kindly help me to solve this problem.

Thank you Sir for your response. Sir, I am a student and I don't have that much money to buy the latest licensed version of Pyrx 0.9.6 or 0.9.8. Is there any way to solve this problem manually?? Waiting for your kind response. Thanks & Regards, Arkajit De

Respected Sir, I am facing a problem while docking a molecule. When I am clicking Autodock>Make macromolecules.(Please see Fig 1). It is showing that I need to select Alternate conformations. But after selected also it is showing an error. (Please see Fig 2). Previously I have worked with some molecules it gave me proper result but for this molecule it is showing like this. Kindly help me to solve this problem. Waiting for your kind response. Thanks & Regards, Arkajit De

Respected Sir, I am facing a problem while docking a molecule. When I am clicking Autodock>Make macromolecules.(Please see Fig 1). It is showing that I need to select Alternate conformations. But after selected also it is showing an error. (Please see Fig 2). Previously I have worked with some molecules it gave me proper result but for this molecule it is showing like this. Kindly help me to solve this problem. Waiting for your kind response. Thanks & Regards, Arkajit De

Respected Sir, I am facing a problem while docking a molecule. When I am clicking Autodock>Make macromolecules.(Please see Fig 1). It is showing that I need to select Alternate conformations. But after selected also it is showing a error. (Please see Fig 2). Previously I have worked with some molecules it gave me proper result but for this molecule it is showing like this. Kindly help me to solve this problem. Waiting for your kind response. Thanks & Regards, Arkajit De

Respected Sir, I am facing a problem while docking a molecule. When I am clicking Autodock>Make macromolecules.(Please see Fig 1). It is showing that I need to select Alternate conformations. But after selected also it is showing a error. (Please see Fig 2). Waiting for your kind response. Thank you Arkajit De