Aqua-Duct changelog
- 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.
- 0.3.5
- As for now, the only supported version of MDAnalysis is 0.15.
- 0.3.4
- Fixed bug in progress bar updating method causing critical error in some specific circumstances.
- 0.3.3
- AutoBarber default values of maxcut_level and mincut_level changed to True.
- Improved template configuration file.
- Number of small improvements in documentaion.
- 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.
- 0.3.1
- AutoBarber tovdw option.
- AutoBarber minimal and maximal cut options.
- Fixed bug in AutoBarber: some areas were sometimes not cut.
- Documentation improvements.
- Valve driver simplified. Most of the functionality moved to separate module.
- Option for single precision storage.
- Added Savitzky-Golay smoothing; AQ requires SciPy >= 0.14 now.
- Improved sorting of CTypes.
- Raw and Separate paths uses SmartRanges. This allowed for excellent performance improvement of Separate paths calculation.
- Default display of molecule changed to silver cartoon.
- Object shape displayed in orange.
- Fixed several small bugs.
- 0.2.26
- Stage execution time debug messages.
- Total execution time debug message.
- 0.2.25
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