Open juliette1996 opened 1 year ago
@RobertaPascazio do you have a .pdb file of this structure?
The problem here was the lack of bonds in the passed core, which caused CAT to fail in identifying the anchoring sites within the passed molecules. The error message here is problematic though and should be way more explicit (fixed as of https://github.com/nlesc-nano/CAT/commit/b8349e6ad04a12774faa0e321b8d802e07ff273b).
There you have it!
Same error as before when using the pdb file
Hello there, I'm trying to use the new option
core.optional.allignment = "anchor"
but it's apparently failing with this error message:Here are the core and input files.
Can you help me with this?