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 caused by CHOMP’s failure to construct a valid molecule fragment has been fixed.