OEToolkits 2012.FebΒΆ
This is a new release of the OpenEye Toolkits with versions of the following libraries:
| OEChem TK: | 1.7.7 |
|---|---|
| OEDepict TK: | 2.0.2 |
| OEDocking TK: | 1.1.1 |
| Grapheme TK: | 1.0.2 |
| GraphSim TK: | 2.0.1 |
| Grid TK: | 1.3.5 |
| Lexichem TK: | 2.1.1 |
| MolProp TK: | 2.1.2 |
| Omega TK: | 2.4.5 |
| Quacpac TK: | 1.5.0 |
| Shape TK: | 1.8.1 |
| Spicoli TK: | 1.1.1 |
| Szybki TK: | 1.7.0 |
| Zap TK: | 2.1.2 |
All the toolkits now use an extension of the MMFF94 force field for tricoordinate boron compounds. Please refer to the Omega TK and Szybki TK release notes for a more complete description of what types of boron are supported.