kortemme-lab Goto Github PK

anticrispr_inputs

benchmark_set_construct

Scripts for constructing data sets for benchmarks.

buried_unsat_seq_recov

cas9_inputs

coupled_moves-tutorial

covariation

A covariation benchmark capture containing the benchmark dataset and benchmarked protocol captures.

ddg

A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.

flex_ddg_analysis

flex_ddg_tutorial

kddg

Database APIs for a database describing mutageneses, macromolecular complexes, experimental measurements, and computational methods. Used primarily for DDG predictions at present.

klab

Kortemme Lab tools repository

ksi

ksi_inputs

local_protein_sequence_design

Design a local part of a protein

loop_helix_loop_reshaping

Reshape a part of the protein into a loop-helix-loop unit

loop_modeling

A loop modeling benchmark capture containing the benchmark dataset and benchmarked protocol captures.

match_ligand_binding_sites

Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.

parametric_scaffold_design

PyRosetta scripts for parametric protein scaffold design

protein_design_course_2021

protein_design_course_files

protein_feature_analysis

ProteinFeatureAnalyzer extracts, analyzes and visualizes features from protein structures.

pull_into_place

A rosetta pipeline to position important protein sidechains with sub-angstrom accuracy.

python_cookiecutter

qtop

"Top"-like tools for monitoring usage on a SGE cluster

rosetta_dev_tools

A set of tools to facilitate development of the Rosetta protein design suite.

running_alphafold

sequence-tolerance

A sequence tolerance benchmark capture containing the benchmark dataset and benchmarked protocol captures.

show_my_designs

A GUI for visualizing and interacting with score vs rmsd plots.

wiki