Commits · 8ecb86356ca6ce9562e12bafcc87a7e4d031799c · schwede / openstructure · GitLab

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Dec 12, 2011
- added two more input/output formats to the table class · 8ecb8635
  Marco Biasini authored 13 years ago
  8ecb8635
Dec 08, 2011
- changed image unit tests to use BOOST_CHECK_CLOSE to avoid bogus errors on Fedora 14 · 7247e945
  Andreas Schenk authored 13 years ago
  
  7247e945
- changed baseline value for test image in img io tests to expose more rounding... · f1687631
  Andreas Schenk authored 13 years ago
  f1687631
- speed up queries · bafc321e
  Marco Biasini authored 13 years ago
  bafc321e
- remove debugging output · d89c52a5
  Marco Biasini authored 13 years ago
  
  d89c52a5
- detabify · 60f534cf
  Marco Biasini authored 13 years ago
  
  60f534cf
Dec 07, 2011
- fixed bug in SignedAngle for parallel Vec2s / added export for SingedAngle · 2826b5bc
  Andreas Schenk authored 13 years ago
  
  2826b5bc
Dec 02, 2011
- Solved problemes with BOOST_CHECK_CLOSE in tests on bc2. · f9ff5e87
  Bienchen authored 13 years ago
  
  f9ff5e87
- restoring docu and removing check >=0 of unsigned var · e898fb5d
  BIOPZ-Haas Juergen authored 13 years ago
  
  e898fb5d
- BZDN-291: fixing segfault on erroneous COMPND records · ea127b53
  BIOPZ-Haas Juergen authored 13 years ago
  
  ea127b53
- change order of exports · 90595e64
  Marco Biasini authored 13 years ago
  
  90595e64
- update export of SaveCHARMMTraj · 53003928
  Marco Biasini authored 13 years ago
  
  53003928
Dec 01, 2011
- make spearman correlation coefficient return None instead of nan (to be consistant) · 6b6a4828
  Tobias Schmidt authored 13 years ago
  
  6b6a4828
- fix bug in roc code: · 220cca23
  Tobias Schmidt authored 13 years ago
  220cca23
- adding check for presence of compound lib when running test_nonstandard.py · 6d1881eb
  BIOPZ-Haas Juergen authored 13 years ago
  
  6d1881eb
- adding automatic conversion of non-standard amino-acids to standard ones, in... · acb8fd31
  BIOPZ-Haas Juergen authored 13 years ago
  acb8fd31
- fixing COMPND parsing · 0dc37a20
  BIOPZ-Haas Juergen authored 13 years ago
  
  0dc37a20
Nov 24, 2011
- added support for selection in TrajWidget · bcd7b0aa
  Marco Biasini authored 13 years ago
  
  bcd7b0aa
- check for end of file more often · 0fecfca9
  Marco Biasini authored 13 years ago
  
  0fecfca9
- sort before superposing · a978edb0
  Marco Biasini authored 13 years ago
  
  a978edb0
Nov 23, 2011
- added spearman rank correlation to table class · 88c1c0a9
  Tobias Schmidt authored 13 years ago
  
  88c1c0a9
Nov 18, 2011
- fixed bug in ROC code in Table class · 100a2083
  Tobias Schmidt authored 13 years ago
  
  100a2083
Nov 16, 2011
- Fixed bug in the msms binding. · 8777e4e7
  Niklaus Johner authored 13 years ago
  8777e4e7
Nov 15, 2011
- Function to change residue number · 25706486
  Niklaus Johner authored 13 years ago
  
  25706486
- Fixed wrong linking in MMCif documentation. · d6e931b0
  Bienchen authored 13 years ago
  
  d6e931b0
Nov 10, 2011
- Added a function to find the index of a sequence in an alignment from its name · 73291a94
  Niklaus Johner authored 13 years ago
  73291a94
Nov 07, 2011
- Added a first and last argument in the CoordGroup::Filter function · f92d3196
  Niklaus Johner authored 13 years ago
  
  f92d3196
- RMSF analysis on trajectories. · 972eacae
  Niklaus Johner authored 13 years ago
  972eacae
- AnalyzeBestFitPlane function added to trajectory_analysis. · 8e84db97
  Niklaus Johner authored 13 years ago
  8e84db97
- Improved alpha helix axis fitting. · 2463aa0a
  Niklaus Johner authored 13 years ago
  2463aa0a
Nov 04, 2011
- fix PQR IO to match PDB2PQR standard and add unit test · c7e6cc13
  Tobias Schmidt authored 13 years ago
  
  c7e6cc13
- templated StatAccumulator to allow selection of calculated moments · 1ec491f3
  Andreas Schenk authored 13 years ago
  
  1ec491f3
Nov 03, 2011
- encapsulated stat functionality into separate accumulator to make it easier to re-use · f166d84c
  Andreas Schenk authored 13 years ago
  
  f166d84c
Oct 28, 2011
- fixed bug in OrthogonalVector for colinear vectors · 3990358c
  Tobias Schmidt authored 13 years ago
  
  3990358c
- export == and != operator for vec, mat and quat · 5b68fd0c
  Tobias Schmidt authored 13 years ago
  
  5b68fd0c
- ConnectorImpl::SetDir/SetDirAndLength only set local_rot_ if direction =! 0 · 41210da7
  Tobias Schmidt authored 13 years ago
  
  41210da7
- ICS was not updated properly after connecting atoms · 42b63f2f
  Tobias Schmidt authored 13 years ago
  
  42b63f2f
- added option to rotate all atoms of a torsion or just specified one; removed... · f5defe19
  Tobias Schmidt authored 13 years ago
  f5defe19
- improve python export of chemtypes · 1e7a150d
  Tobias Schmidt authored 13 years ago
  
  1e7a150d
Oct 27, 2011
- added temporary implementation to allow tube rendering with per-residue diameter · d1dace5f
  Ansgar Philippsen authored 13 years ago
  
  d1dace5f