Using lipids in HADDOCK

I have been trying to dock proteins to a protein that is associated with lipids. The docking works when the lipids are removed, but I would like to include them in case they modify the binding event. I had some success last week by defining the lipids as HETATMs (after consulting with a Japanese group that used these lipids in HADDOCK analyses before). It worked great for about a week and then yesterday, I got the following error message using the exact same .pdb files " [Errno 2] No such file or directory: ‘/tmp/tmp56sbrk5t/POV_prodrg" I would love to get this functionality back. Was there some change in a recent update? Many thanks.

There was a python2.7 / python3 issue that had been introduced recently with an update. This is now solved.

Please try again

That seems to have worked. Analysis is running now. Hopefully it is successful. Thanks for fixing the problem so quickly.

1 Like