SPRUCE 1.1.0

Spring 2020.0

This version of SPRUCE has been built using OEToolkits 2020.0.

New Features

This release contains two new applications:

  • LoopDB_Builder uses existing structures to build a dictionary of known loops that can be used in loop modeling of unresolved gaps in protein structures.

  • du2pdb converts the entire content of an OEDesignUnit to a PDB file.

Major bug fixes

  • The GetStructure application has been enhanced to prevent partial downloads. Retries and timeouts have been improved.

Minor bug fixes

  • The prefix input behavior has been standardized across all SPRUCE applications.

  • The input option --restrict_to_refsite is now being respected for both SPRUCE and EnumSites.

  • The -site_residue input option to EnumSites now performs correctly.

  • The GetStructure application now checks that the input PDB code contains 4 characters.

  • SPRUCE now fails if an MTZ file is specified but is not present or is unreadable.

  • The documentation around the -site_residue option used for APO structures has been simplified.