Commits · 28ca170404cea1311348425d78a90c7af39fd99b · Martin Kurečka / Plumed AlphaFold · GitLab

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Jul 30, 2019
- Added explicit statements · 28ca1704
  Giovanni Bussi authored 5 years ago
  28ca1704
Jan 11, 2019
- Plumedbot commit: headers · 17ab3ec1
  Travis CI User authored 6 years ago
  17ab3ec1
Jul 26, 2018
- headers · 5a9550f8
  Giovanni Bussi authored 6 years ago
  
  5a9550f8
Jul 11, 2018
- Fixed small bug in reading of dissimilarity matrices · bb4bee88
  Gareth Tribello authored 6 years ago
  
  bb4bee88
Jul 05, 2018
- Added small fix to reading of dissimilarity matrices · a457f942
  Gareth Tribello authored 6 years ago
  
  a457f942
May 11, 2017
- Ran astyle on all files · 571d4d57
  Gareth Tribello authored 7 years ago
  
  571d4d57
Nov 12, 2016
- Moved collection of data for analysis to separate action · debe8341
  Gareth Tribello authored 8 years ago
  debe8341
Oct 30, 2016
- Fix ccpcheck errors for travis · 4dc240cb
  Gareth Tribello authored 8 years ago
  
  4dc240cb
Aug 27, 2016
- Added function to do out of sample embedding with input dissimilarity matrix · 0ea16a6a
  Gareth Tribello authored 8 years ago
  
  0ea16a6a
Aug 22, 2016
- Made read dissimilarity matrix able to read rectangular matrices · a135a9b5
  sandipde authored 8 years ago
  
  a135a9b5
Aug 18, 2016
- Fixed bug in reading of dissimilarity matrices · c8f956a5
  Anelli authored 8 years ago
  c8f956a5
Aug 06, 2015
- Used MOLINFO to pass atom names to output files in OUTPUT_PDB · d6a289c0
  Michele Ceriotti authored 9 years ago
  
  d6a289c0
- Fixed bug in outputting analysis colvar files in some cases · acdaa3b4
  Michele Ceriotti authored 9 years ago
  
  acdaa3b4
- Added new landmark selection methods. Also doing proper sketch-map pointwise · 32daf83a
  Michele Ceriotti authored 9 years ago
  
  32daf83a
Jul 07, 2015
- Fixed bug that breaks travis-ci · 9ab6f051
  Gareth Tribello authored 9 years ago
  9ab6f051
- Added new functionality for output pdb in analysis · 61e9e629
  Gareth Tribello authored 9 years ago
  61e9e629
Jul 04, 2015
- Added stuff to read in trajectories in tandem with ReadDissimilarityMatrix · 961088f8
  Gareth Tribello authored 9 years ago
  
  961088f8
- Changed the way data is passed to reference configurations in analysis · 18205331
  Gareth Tribello authored 9 years ago
  18205331
Jul 02, 2015
- Added documentation for analysis tools · 1d0a9981
  Gareth Tribello authored 9 years ago
  
  1d0a9981
- Added functionality to OutputPDBFile so that projections can be written out · 8378e6fd
  Gareth Tribello authored 9 years ago
  
  8378e6fd
- Added analysis functionalities for landmark selection and dissimilarity matrix calculation · 680d30d6
  Gareth Tribello authored 9 years ago
  
  680d30d6