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lines changed Original file line number Diff line number Diff line change @@ -88,6 +88,7 @@ rc run [OPTIONS] <APP> [ARGS]...
8888- ` score ` - Run Rosetta score command (shorthand for common scoring tasks)
8989- ` pyrosetta ` - Execute PyRosetta Python scripts with PyRosetta environment
9090- ` rfdiffusion ` - Run RFdiffusion for protein structure generation
91+ - ` proteinmpnn ` - Run ProteinMPNN for protein sequence design
9192
9293### ` install `
9394
@@ -166,6 +167,28 @@ rc run rfdiffusion inference.py \
166167 ' contigmap.contigs=[10-40/A163-181/10-40]'
167168```
168169
170+ ### ProteinMPNN
171+
172+ #### Design sequences for a protein structure
173+
174+ ``` bash
175+ rc run proteinmpnn \
176+ --pdb_path structure.pdb \
177+ --pdb_path_chains " A B"
178+ ```
179+
180+ This will generate designed sequences in the ` seqs/ ` directory within your working directory.
181+
182+ #### Design with custom parameters
183+
184+ ``` bash
185+ rc run proteinmpnn \
186+ --pdb_path structure.pdb \
187+ --pdb_path_chains " A" \
188+ --num_seq_per_target 10 \
189+ --sampling_temp 0.1
190+ ```
191+
169192### General Options
170193
171194#### Using with different working directory
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