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We would like to be able to load in structures from a pdb from other programs (cg_openm, foldamers, etc.). Using pyrosetta.pose_from_pdb() we should be able to read in structures into PyRosetta.
The text was updated successfully, but these errors were encountered:
I am able to read in PDB files with CG11x3 models. Energy outputs are similar, but not exactly the same. I believe this has to do with the truncation done in writing PDBs. Looking into high precision ways to write files in Rosetta.
Output of assert_almost_equal for energies between an original pose and that same pose being read in from pose_from_pdb.
Arrays are not almost equal to 7 decimals
ACTUAL: -3.1096148301871103
DESIRED: -3.1154496225609503
Due to the precision output, the differences between read-in and simulated structures is expected. If we need to high precision output files for reading into other programs, we should be able to adjust Rosetta's output precision.
We would like to be able to load in structures from a pdb from other programs (cg_openm, foldamers, etc.). Using
pyrosetta.pose_from_pdb()
we should be able to read in structures into PyRosetta.The text was updated successfully, but these errors were encountered: