Commits · 567908144eddf05ae32a2efbcc626862a4fc8a73 · tbgl / tools / mrdna · GitLab

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Aug 24, 2018
- Fixed issue with PSF writer; fixed issue with orientation when no spline exists · e138ec52
  cmaffeo2 authored 6 years ago
  
  e138ec52
Aug 21, 2018
- Fixed psf writer for atomsitic simulations; add NAMD configuration writer; fixed bug with ENM · ac887d18
  cmaffeo2 authored 6 years ago
  
  ac887d18
Aug 10, 2018
- Added os.sync call to ensure all files are written before ARBD/NAMD run · 541789d7
  cmaffeo2 authored 6 years ago
  
  541789d7
Jul 10, 2018
- Fixed PDB writer to correctly include system dimensions and to write the segname to the pdb · 4412e203
  cmaffeo2 authored 6 years ago
  
  4412e203
Jul 03, 2018
- Removed mutable default arguments · 9c5c3cdf
  cmaffeo2 authored 6 years ago
  
  9c5c3cdf
Jun 14, 2018
- tmp commit of older work; changed how duplicate bonds are handled · 2175845a
  cmaffeo2 authored 6 years ago
  
  2175845a
- Likely fixed most backmapping bugs · cf915a07
  cmaffeo2 authored 6 years ago
  
  cf915a07
Jun 13, 2018
- Fixed bugs in psf bond writing · dc623af9
  cmaffeo2 authored 6 years ago
  
  dc623af9
Apr 05, 2018
- Fixed how timestep is read · c73289a3
  New Tbgl User authored 7 years ago
  
  c73289a3
- Fixed minor pdb/psf writing issues · c3cb9ecb
  New Tbgl User authored 7 years ago
  
  c3cb9ecb
Apr 04, 2018
- Updated arbdmodel writePdb and nucleotide generation · f87c6dfe
  cmaffeo2 authored 7 years ago
  
  f87c6dfe
Apr 01, 2018
- Fixed some small bugs · 1eb40b0b
  cmaffeo2 authored 7 years ago
  
  1eb40b0b
Mar 30, 2018
- Fixed numerous issues; code seems to work · 2161b99c
  cmaffeo2 authored 7 years ago
  
  2161b99c
Mar 27, 2018
- Working towards compatibility with cadnano structures; fixed some issues · daa829dd
  cmaffeo2 authored 7 years ago
  
  daa829dd
Mar 23, 2018
- Added all-atom model · fca5b912
  cmaffeo2 authored 7 years ago
  
  fca5b912
Mar 22, 2018
- Fixed some small bugs; updated intrahelical iteration to use linked-list... · bd20f326
  cmaffeo2 authored 7 years ago
  
  Fixed some small bugs; updated intrahelical iteration to use linked-list scheme; updated bead generation
  bd20f326
Mar 20, 2018
- Initial implementation of splined positions/orientations in segmentModel · a36bc78c
  cmaffeo2 authored 7 years ago
  
  a36bc78c
- arbdmodel now preserves particle order · 6457307f
  cmaffeo2 authored 7 years ago
  
  6457307f
- arbdmodel now creates potentials directory · 47414bcf
  cmaffeo2 authored 7 years ago
  
  47414bcf
Mar 02, 2018
- Added parser for maya files and fixed some issues with segmentmodel · 314efe04
  cmaffeo2 authored 7 years ago
  
  314efe04
Mar 01, 2018
- Added models with twist · 287af0d9
  cmaffeo2 authored 7 years ago
  
  287af0d9
Feb 28, 2018
- Initial implementation of segmentmodel · d3361ce8
  cmaffeo2 authored 7 years ago
  
  d3361ce8