BROOD 3.1.2

Nov 2019

  • This version of BROOD has been built using OEToolkits 2019.Oct. The previous version was built using OEToolkits 2019.Apr.

Major bug fixes

  • A bug that caused CHOMP to crash in some cases when using -userFrag has been fixed.

Minor bug fixes

  • A bug that caused the -userUnique flag of CHOMP to not parse absolute or relative paths correctly has been fixed.
  • CHOMP now properly runs in multi-node MPI mode when passing in a custom filter file.
  • CHOMP now honors -maxHvy values greater than the default value of 15 for post-fragmentation filtering.
  • A segmentation fault that caused CHOMP to fail to construct an invalid molecule fragment has been fixed.