Closed russell-taylor closed 3 years ago
Christopher pointed out that dangle and mp_geo are the only ways that existed to get these numbers, that he was pretty sure that the PDB was using mp_geo, and that there were changes made to CCTBX since March 2020 that have made it more restrictive, so that they are probably using an older version of mp_geo to generate their suites.
Putting this on the back burner until we hear from the PDB and complete porting Reduce and Probe.
Ken added direct parsing of PDB and CIF files to the new version.
Consider replacing the whole dangle/suitename workflow inside the PDB, not just the SuiteName part.
Find out how the PDB folks are are doing it now and propose a drop-in replacement.