Benjamin Fry

icon location Cambridge, MA icon location Biophysics PhD Candidate @ Harvard GSAS; Computational protein design @polizzilab

Results 3 issues of Benjamin Fry

Remove Second Declaration of FastRelax

Creating the second fast relax object without setting its scorefunction and attempting to apply it will create a segmentation fault. Also the import for fast relax is above in the...

Steering potentials not applied to modified residues?

2 comment

Testing out the model in `--use_potentials` mode with some non-standard residues (CCD Codes 4OO and IZO) and I'm noticing different results for the sidechain when I run the residue as...

Fix --output_format pdb with --mode boltz1

Currently pdb format outputs crash when using --mode boltz1. This patch prevents this and enables --output_format pdb for both boltz1 and boltz2 modes.