Hello,
I have ran a job for FTIC.mol2, and it seems that the job was ran successfully. I downloaded the executed job, and when I checked Finder on my Mac, I was given 7 files: index.xml, FTIC.mol2, mobyle.css, ident.xsl, job.xsl, DG-AMMOS.out, and DG-AMMOS.er. I was assuming that DG-AMMOS.out contains the conformational library with the different conformations for FTIC, though when I tried opening it on Avogadro, it says that reading molecular file failed. I’m not sure of why this is the case, considering that the job ran well. In addition, I’m getting a command line under job execution but I’m not sure about what to use that for. For some more context, I am trying to generate a conformational library of the FTIC ligand so that I can dock it on Rosetta.
Session information:
- id: H01863165815115
- email: None
- activated?: True
- authenticated?: False
Job information:
- id: RPBS Web Portal
- date: Sat, 25 Jan 2025 02:04:24 +0000
- status: finished
- user error in parameter: None
- user error message: None