New version of AQUA-DUCT is available (Release 0.3.7) Enable XTC trajectory format. Reliability fix in progress bar display. For more specific information on new functionalities see changelog at http://pythonhosted.org/aquaduct/.
New version of AQUA-DUCT is available (Release 0.3.6) AQ can be run for given part of trajectory. Fixed bug in passing options to Barber clusterization method. Recursive threshold can be defined as range; no disjoint ranges are supported. For more specific information on new functionalities see changelog at http://pythonhosted.org/aquaduct/.
AQUA-DUCT publication was published in Volume 33, Issue 13 of Bioinformatics journal – AQUA-DUCT a ligand tracking tool
Check out the clustering tips and tricks in the Tutorials section Adjusting method of clustering This section will show you how your results can vary from chosen method of clustering ……. For a PDF file version of the tutorial visit the Download section.
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…
