Probe 2.23 leads to slightly different results than 2.21 about probe HOT 2 OPEN

Andreas,

Thank you for updating the Debian packages and also for continuing to check to make sure the changes are desired.

In this case, I pulled some changes into the main branch so that the Richardson Lab can test them in MolProbity before we're sure that the results are better. I recommend that you maintain the previous version until that testing is complete. I'll let you know when that is.

The longer story is that we're developing a version of Probe that is embedded in the CCTBX Python library and our regression tests are turning up issues in the C code that should be improved. This one removes marking atoms in 5-membered Aromatic rings as Acceptors, which should prevent Hydrogen bonds to the rings from the side.

Thanks,
Russ

from probe.

from probe.