Hello, the log says that it found HETATM atoms but i could not find any in the file. Is there a chance that it does not recognise atoms that were added with the RCD+ server used for missing loop reconstruction?
Thank you for your time.
Session information:
- id: L17894094538927
- email: None
- activated?: False
- authenticated?: False
Job information:
- id: RPBS Web Portal
- date: Thu, 03 Mar 2022 10:40:58 +0000
- status: finished
- user error in parameter: None
- user error message: None
Hello,
it seems the problem is linked to NZ atoms in 2 prolines of protein B (could it be an annotation error since those aren’t supposed to exist except in unprotonated lysines according to AMBER nomenclature?)
When removing those atoms the job can be started on InterEvDock3:
https://mobyle.rpbs.univ-paris-diderot.fr/cgi-bin/portal.py#jobs::InterEvDock3.L25339418862104
Please note that we have released a new version of the server (InterEvDock3) which should be preferred to InterEvDock2.
I hope this helps.
Best regards
Jessica & Chloé