V2.11

Version 2.11 (under development)

This page contains changes that will end up in 2.11

When using MOLINFO with the WHOLE flag, PBCs in the following actions will be reconstructed using a minimum spanning tree based on the coordinates stored in the MOLFILE reference pdb.

The inputlines now are parsed using a dictionary instead of an array. This speeds up the parsing of massive input lines. It is not possible anymore to register lowercase keywords and the developer must always specify the keywords completely as uppercase while parsing in the action constructor. There are no differences for the user, apart the entry in the manual for the DEBUG action: the user can still specify lowercase and mixed case keywords in the input file.