Commits · 63afd37266ef4b286a34df3d547577209c98429e · schwede / openstructure · GitLab

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Jan 20, 2012
- add util to run python unittests · 63afd372
  Tobias Schmidt authored 13 years ago
  63afd372
- add cmake target check_xml, which writes XML output for all testcases · d927d7a7
  Tobias Schmidt authored 13 years ago
  
  d927d7a7
Jan 17, 2012
- extend msms documentation · 13684496
  Tobias Schmidt authored 13 years ago
  
  13684496
- add documentation to clustalw binding · fa8f55b4
  Tobias Schmidt authored 13 years ago
  
  fa8f55b4
Jan 11, 2012
- modify table plotting function · 27487606
  Tobias Schmidt authored 13 years ago
  27487606
Jan 09, 2012
- table class: add function to compute mean of selected columns for each row of the table · 3fa0c025
  Tobias Schmidt authored 13 years ago
  
  3fa0c025
Jan 03, 2012
- some fixes in Quat and Rotation3 / added basic unit tests for Rotation3 and Quat · d55c28d0
  Andreas Schenk authored 13 years ago
  
  d55c28d0
Dec 30, 2011
- fix another bug in table class · 389d6810
  Tobias Schmidt authored 13 years ago
  389d6810
- fix bug in table class · 604e6d7f
  Tobias Schmidt authored 13 years ago
  604e6d7f
Dec 21, 2011
- fix linking of static executables (2nd try) · c5e3177d
  Marco Biasini authored 13 years ago
  
  c5e3177d
- even less debugging output · 8d590ede
  Marco Biasini authored 13 years ago
  
  8d590ede
- fix linking of static executables · 1a0c5028
  Marco Biasini authored 13 years ago
  
  1a0c5028
- remove debugging output · a32bfa8b
  Marco Biasini authored 13 years ago
  
  a32bfa8b
- Added filename to exception if LoadPDB does not find an entity. · 7189eb30
  Bienchen authored 13 years ago
  
  7189eb30
Dec 14, 2011
- improve labels in table plot function · 1e619ea7
  Tobias Schmidt authored 13 years ago
  1e619ea7
Dec 13, 2011
- make tmalign/tmtools work with charmm style pdb files · 79c3c85b
  Tobias Schmidt authored 13 years ago
  79c3c85b
Dec 12, 2011
- reset figure size instead of clearing · a350ebb6
  Marco Biasini authored 13 years ago
  
  a350ebb6
- improve table plotting function · 6a04780d
  Marco Biasini authored 13 years ago
  6a04780d
- 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