New version of AQUA-DUCT is available (Release 0.3.5) As for now, the only supported version of MDAnalysis is 0.15. For more specific information on new functionalities see changelog at http://pythonhosted.org/aquaduct/.
New version of AQUA-DUCT is available (Release 0.3.4) Fixed bug in progress bar updating method causing critical error in some specific circumstances. For more specific information on new functionalities see changelog at http://pythonhosted.org/aquaduct/.
New version of AQUA-DUCT is available (Release 0.3.3) AutoBarber default values of maxcut_level and mincut_level changed to True. Improved template configuration file. Number of small improvements in documentation. For more specific information on new functionalities see changelog at http://pythonhosted.org/aquaduct/.
New publication describing AQUA-DUCT tool is available in Advance article section in “Bioinformatics”: AQUA-DUCT a ligand tracking tool
Our tool AQUA-DUCT is officially launched (Release 0.3.2) Major improvement: new auto_barber based clustering method. Clusterization history displayed as simple ascii tree. AutoBarber min and max cut level options added. Barber moved to separate module. Fixed bug in visualization script; if no molecule is kept do not set style and color. New publication…
