Commit fcb77967 authored by Jennifer Wei's avatar Jennifer Wei
Browse files

edits to inference documentation and script for parameters

parent f561cec0
......@@ -42,7 +42,7 @@ $ bash scripts/download_openfold_params.sh $PARAMS_DIR
We recommend selecting `openfold/resources` as the params directory as this is the default directory used by the `run_pretrained_openfold.py` to locate parameters.
If you choose to use a different directory, you may make a symlink to the `openfold/resources` directory, or specify an alternate parameter path with the command line argument `--jax_path` for AlphaFold parameters or `--openfold_checkpoint_path` for OpenFold parameters.
If you choose to use a different directory, you may make a symlink to the `openfold/resources` directory, or specify an alternate parameter path with the command line argument `--jax_param_path` for AlphaFold parameters or `--openfold_checkpoint_path` for OpenFold parameters.
### Model Inference
......
......@@ -72,8 +72,7 @@ python3 run_pretrained_openfold.py \
--output_dir ./
```
Note that template searching in the multimer pipeline
uses HMMSearch with the PDB SeqRes database, replacing HHSearch and PDB70 used in the monomer pipeline.
As with monomer inference, if you've already computed alignments for the query, you can use
the `--use_precomputed_alignments` option.
\ No newline at end of file
**Notes:**
- Template searching in the multimer pipeline uses HMMSearch with the PDB SeqRes database, replacing HHSearch and PDB70 used in the monomer pipeline.
- As with monomer inference, if you've already computed alignments for the query, you can use the `--use_precomputed_alignments` option.
- At this time, only AlphaFold parameter weights are available for multimer mode.
\ No newline at end of file
......@@ -273,6 +273,11 @@ def main(args):
seq_sort_fn = lambda target: sum([len(s) for s in target[1]])
sorted_targets = sorted(zip(tag_list, seq_list), key=seq_sort_fn)
feature_dicts = {}
if is_multimer and args.openfold_checkpoint_path:
raise ValueError(
'`openfold_checkpoint_path` was specified, but no OpenFold checkpoints are available for multimer mode')
model_generator = load_models_from_command_line(
config,
args.model_device,
......
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