New version of AQUA-DUCT is available (Release 0.4.14)
- Uses newest MDAnalysis (0.16.2).
- Steady improvement of documentation (including API).
- Names of traced molecules are returned in the result file and tables are split appropriately.
- Tables in the result file are split in regard to Object and Passing paths.
- Passing through paths are being introduced, WIP.
- Additional tables in the result file.
- CRD is enabled as topology/trajectory format.
- Traced residues are identified by resindices instead of resids; this allows to use weak topologies such as PDB.
- Removed roman dependency.
- In addition to histograms approximate (ConvexHull approximation) areas and volumes of the scope and object can be calculated.
- Bug fixes and reliability fixes.
For more specific information on new functionalities see changelog at http://pythonhosted.org/aquaduct/.