Guidance on Using Precompiled CNS Executable with HADDOCK


I hope this email finds you well. I am a tudent, and I am currently working on a project that involves using HADDOCK for protein-protein molecular docking. I have encountered a question regarding the integration of the precompiled CNS executable with HADDOCK, and I would greatly appreciate your guidance on this matter.

I understand that HADDOCK requires CNS as the computational engine, and I have downloaded the precompiled CNS executable for Linux, specifically the cns_solve-1.31-UU-Linux64.exe file(Link from the email you received when you agreed to download). My question is whether this executable should be renamed to “cns” and then placed in the HADDOCK directory, or if there are additional steps that I need to follow to ensure proper integration.

Your assistance and expertise would be invaluable in helping me proceed with my project. I am eager to learn the correct procedure and any additional configurations that might be necessary.

Thank you very much for your time and support. I look forward to your response.

Best regards.

Dear zhuyaojun,

If you are referring to the Haddock3 installation procedure, indeed a file named cns must be existing in the haddock3/bin directory.
Note that this must not mandatory be an executable, but a link/symbolic link is enough.

To perform this, run:
ls -s /path/to/cns/binary/cns_solve-1.31-UU-Linux64.exe haddock3/bin/cns

With the hope that this answer is helping you.

Dear VGPReys,
If I download the precompiled CNS executable from the provided link, can I proceed directly from step 5 of the HADDOCK setup instructions?
Thanks for your reply.

Yes exactly.
But before that, make sure the binary you have can be executed on your operating system and hardware (step 4).

Thank you very much for your help.