While not a fan of you-know-which OS, I understand that most ITC users are non-linux folk. The fact that pyITC is developed primarily for Linux may be yet another incentive to leave the dark side, but the barrier still is perhaps to high despite availability of user friendly Linux flavors. But enough talking - this announces the availability of the new 1.0.2 version Windows installer. After installation, run it by double-clicking on C:/Python2.x/Scripts/itctool.py or such. Good luck and let me know if there are any bugs.
The new alpha version, 1.0.2, is released. It includes Monte Carlo based error calculation, and improved interface.
The next alpha release of the reworked pyITC is now available. This is version 1.0.1, which includes several improvements, including profile fitting and fitting data to the single binding site model with constant dilution heat. Error calculation is the last feature which is still not available compared to 0.0.10 - once that's done, I feel 1.0.2 will replace it as the recommended download. Next milestone would include global fit and model plugin.
Alpha release of the next generation pyITC is now available (look for "Alpha" folder). It is not yet fully functional - most importantly, it is still missing model fitting. Yet it already includes:
- reworked GUI
- use of wx.plot module (matplotlib is not a dependency anymore)
- new integration algorithm based on peak fitting
- estimates of relaxation time
Beware that installing the new version may completely replace the old version, resulting in loss of functionality.