- Aug 18, 2016
-
-
sandipde authored
-
- Jul 07, 2015
-
-
Gareth Tribello authored
You can now use COLLECT_FRAMES to collect pdb data from the trajectory and output a pdb file that contains the underlying atomic coordinates in pdb format even if you are not using the rmsd distance to measure the dissimilarity matrix for dimensionality reduction. Also fixed a number of bugs.
-
- Jul 04, 2015
-
-
Gareth Tribello authored
-
- Jul 03, 2015
-
-
Gareth Tribello authored
-
- Jul 02, 2015
-
-
Gareth Tribello authored
-
Gareth Tribello authored
The old analysis class was reaching a stage where it was not fit for purpose. This is thus a total redesign in order to allow us to write better algorithms for dimensionality reduction that are flexible and easy for users to use. I have removed some functionality with this commit but I will re add it in subsequent commits Also added information on analysis classes to developer documentation
-