While I can successfully submit jobs for two molecules (protein A and B、protein A and C、protein B and C), I am unable to submit jobs for three molecules (protein A 、B and C). What could be the reason for this issue?
without more details it is impossible to answer you…
OK！Then let me add the details: I am planning to perform molecular docking among three proteins using HADDOCK. While I can successfully submit pairwise protein docking jobs and obtain good results, I encounter an issue when attempting to submit a job involving three molecules. Specifically, at the ‘Input parameters’ step, clicking ‘NEXT’ does not proceed and remains stuck on the ‘Input parameters’ page. I have seen discussions on the BioExcel forum and attempted to resolve the issue by reducing the ‘Pair to active/passive selection set number(s)’, but this has not resolved the problem. Could you provide further assistance or alternative approaches for performing docking with three proteins?
Well there must still be some message on top of the window why you can’t proceed to the next step
HADDOCK - Input form.pdf (663.7 KB)
Thank you for your guidance. I have attached a PDF document showing my operation page for your reference, as I found that the forum does not support uploading video files, making it difficult to provide a direct visual demonstration of the issue.
After uploading data for three proteins, I am stuck at the ‘Input parameters’ step and cannot proceed to the ‘Docking parameters’ step. Despite reducing the complexity of the input parameters and ensuring all settings are correct, including verifying the format and content of uploaded PDB files, I still encounter this problem.
Could you please review the attached PDF and provide any insights or suggestions on what might be causing this issue? Any additional advice on how to resolve this or alternative approaches for handling three-protein docking would be greatly appreciated.
Thank you very much for your help.