shirtsgroup cg_pyrosetta issues

shirtsgroup / cg_pyrosetta

A python package which enables CG residues in a working version of PyRosetta

MIT License

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Branch for testing terphenyl oligomers in CG PyRosetta

#47 tlfobe opened 1 year ago
0
Documentation

#46 tlfobe opened 1 year ago
0
Terphenyl

#45 tlfobe closed 1 year ago
1
Lots of work done on this branch that should of been in separate branches

#44 tlfobe closed 2 years ago
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added new directories for longer resiude simulations

#43 tlfobe closed 2 years ago
1
added some structural changes to include longer residue simulations, …

#42 tlfobe closed 3 years ago
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Jupyter notebooks are making this repository unnecisarily large

#41 tlfobe opened 3 years ago
0
started new signac workflow for running analysis in independent chunks

#40 tlfobe closed 3 years ago
1
started dynamic annealing o object

#39 tlfobe closed 3 years ago
2
New script to reset simulations without deleting other parts of the workspace

#38 tlfobe closed 3 years ago
0
Benchmarking

#37 tlfobe closed 3 years ago
1
Pull request for changes to the BA experiment

#36 tlfobe closed 3 years ago
0
New models

#35 tlfobe closed 3 years ago
0
Problem restarting simulations

#34 tlfobe opened 3 years ago
0
Sc bl exp

#33 tlfobe closed 3 years ago
0
Created Energy and structure observers to separate functionality (and open possiblity for other observers in the future)

#32 tlfobe closed 3 years ago
0
forgot to commit new utils.py module for building and initialzing cg_…

#31 tlfobe closed 4 years ago
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Extra res fa flag

#30 tlfobe closed 4 years ago
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added lines to only read files that end with .params as extra res files

#29 tlfobe closed 4 years ago
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Extra res fa flag

#28 tlfobe closed 4 years ago
0
added files for running SC experiment

#27 tlfobe closed 4 years ago
0
Timing

#26 tlfobe closed 4 years ago
0
Signac parameter scan

#25 tlfobe closed 4 years ago
1
Signac parameter scan

#24 tlfobe closed 4 years ago
1
added recent changes to include use of `-add_atom_types` flag

#23 tlfobe closed 4 years ago
0
setBondLenghts mover throws an error

#22 tlfobe closed 4 years ago
1
residue_types.txt accumulates input residues at the bottom

#21 tlfobe opened 4 years ago
0
Monte carlo sim ex

#20 tlfobe closed 4 years ago
0
Using Rmin or Sigma for LJ potential

#19 tlfobe opened 4 years ago
0
Sc dihe+angle mover

#18 tlfobe closed 4 years ago
3
Cg monte carlo dev

#17 tlfobe closed 4 years ago
1
PyRosetta as a submodule

#16 tlfobe opened 4 years ago
0
Adding some cgopenmm_cgpyrosetta comparison files

#15 tlfobe closed 4 years ago
1
Start a readthedocs style documentation

#14 tlfobe opened 5 years ago
0
Many examples could be moved to new modules or implemented as tests

#13 tlfobe opened 5 years ago
0
Check reading from a PDB functionality

#12 tlfobe closed 4 years ago
3
pushing all advancedments from prelim figure making, this includes: A…

#11 tlfobe closed 4 years ago
1
Random configurations

#10 tlfobe closed 5 years ago
0
Refactoring some internals to try and be more compliant with SOLID principles

#9 tlfobe closed 4 years ago
1
Changing LJ parameters does not update if PyRosetta is already intialized

#8 tlfobe closed 4 years ago
1
Technically the copyright should be CU Boulder

#7 mrshirts closed 5 years ago
4
Working branch

#6 tlfobe closed 5 years ago
0
Merging working_branch to master

#5 tlfobe closed 5 years ago
0
Remove dependence residue name dependence CG_movers using `conformation.bonded_neighbor_all()`

#4 tlfobe closed 4 years ago
2
Seg fault when trying to use separate 'cg_models' `residue_type_set` and `atom_type_set`

#3 tlfobe closed 4 years ago
1
mm_bend in conjunction with MinMover() causes unexpected error

#2 tlfobe closed 4 years ago
3
move set_BBB_angles and set_BBBB_dihe to CG_movers

#1 tlfobe opened 5 years ago
1