This release implements some performance enhancements, small bug fixes and updated API.
Performance Improvements:
- accelerated making of residue graphs related to issue #379
- accelerated parsing of itp files related to issue #377
- accelerated mapping of molecules related to issue #408
Bug Fixes:
- itp reader now reads virtual_sites1 and settle directives
- itp reader can handle #else statements
API Updates:
- the deferred file writer doesn’t overwrite the built-in open anymore instead now we expose deffered_open
- the PDB writer gets a new flag ‘defer_writing’ that either uses the deferred file writing or just regular file writing
Dependency Updates:
- Martinize2 now supports the latest version of Sphinx
- Martinize2 now runs with the latest version of pylint