Fixes protonation state error in some cyclodextrin derivative hosts

This release

• Bugfix: Fixes a likely protonation state error (-NH2 had been provided rather than -NH3) for some cyclodextrin-derivative hosts (MGLab19, 24 and 34). As always, we do not warranty that provided protonation states are correct, but this removes what appears to be an obvious error.
• Improves handling of the division into residues in some cyclodextrin-derivative hosts.
• Includes maintenance fixes previously made, such as final buffer concentrations for GDCC, updated submission deadlines, improved input files for TrimerTrip g11.

Version 0.1.1: Updated README files

Includes updated README.md files which were intended for Release 0.1 but were erroneously not incorporated.

Version 0.1: Final host-guest sets for SAMPL7

This finalizes the host-guest sets for SAMPL7:

• Gibb Deep Cavity Cavitand (GDCC) set
• TrimerTrip set (Isaacs lab)
• Cyclodextrin derivative set (Gilson lab)

It fixes several issues which were present in earlier draft files to provide a complete set. Specifically:

• The TrimerTrip set was finalized
• An error in the provided 3D structure of the TrimerTrip host was corrected
• Several errors in 3D structures of the cyclodextrin derivative set were corrected

A variety of other cleanup was also done.