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toroidal diffusion - PDBPhiPsiExtractor angles to radians
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**Submitting author:** @jpotoff (Jeffrey Potoff)
**Repository:** https://github.com/GOMC-WSU/MoSDeF-dihedral-fit/
**Branch with paper.md** (empty if default branch):
**Version:** 0.0.3
**Editor:** @p…
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Hi,
I put gro and top files in gro2lam and autoloaded itp files. here is the output results. I recently started using gro2lam and do not know yet about how to use enough to fix this problem, sayi…
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We are not catching NaNs the same way as MDAnalysis is here for dihedrals, where the atan2 input is 0/0
The NaN bit may be being set correctly, but we are just not catching it
https://github.c…
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![dihedral](https://github.com/RInterested/statistics/assets/9312897/b8479469-c208-477d-9126-41b1ad802c80)
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JOSS Review: https://github.com/openjournals/joss-reviews/issues/6970
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Hi I looked through you submission. In ge…
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Integrate ability to assess dihedral angles into bond length/angle analysis.
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> `Dihedral_angle_cosine` might be useful for other tet-related packages. Do you plan to make it more official one way or another?
_Originally posted by @lrineau in https://github.com/CGAL/cgal/pul…
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Current ```identifyDihedrals``` uses the CONECT records to find dihedrals. It would be good to do this from ATOM information alone, since atom types and residues are readily available information from…
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The BOKEI paper (https://doi.org/10.1039/C9CP06688H) shows the success of using correlated dihedral information.
- [ ] Consider how to implement correlated dihedrals as a weak prior (e.g., πBO)
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