3dem / model-angelo

Automatic atomic model building program for cryo-EM maps
MIT License
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Default config.json Issue #103

Open MXXXZ opened 3 months ago

MXXXZ commented 3 months ago

Hi!

Due to network environment issues, I am unable to directly download the model weights through the installation script. Therefore, I used the download script mentioned in Issue #39 for direct URL downloading. (That is: ["original"]="https://zenodo.org/record/7733060/files/original.zip", ["original_no_seq"]="https://zenodo.org/record/7733060/files/original_no_seq.zip", ["small_gpu"]="https://zenodo.org/record/7733060/files/small_gpu.zip")

When running Build, with using --model-bundle-path path_to_download_weights/original for execution, I encountered an error:

AttributeError: 'Args' object has no attribute 'box_size'

After attempting to add '"box_size": 64, 'to the original/config.json and running it again, I encountered another error:

AttributeError: 'Args' object has no attribute 'voxel_size'

As a result, I'm wondering if the issues are due to the default config.json in the weights I downloaded not being updated, or because I need to specify additional parameters myself?

There is my original config.json in the original package:

{
  "standardize_mrc_args":
    {
      "target_voxel_size": 1.5,
      "crop_z": 0,
      "bfactor_to_apply": 0,
      "auto_mask": false
    },
  "ca_infer_args":
    {
      "model_checkpoint": "chkpt.torch",
      "bfactor": 0,
      "batch_size": 4,
      "stride": 16,
      "dont_mask_input": true,
      "threshold": 0.05,
      "save_real_coordinates": false,
      "save_cryo_em_grid": false,
      "do_nucleotides": false,
      "save_backbone_trace": false,
      "save_ca_grid": false,
      "crop": 6
    },
  "gnn_infer_args":
    {
      "num_rounds": 3,
      "crop_length": 200,
      "repeat_per_residue": 3,
      "esm_model": "esm1b_t33_650M_UR50S",
      "aggressive_pruning": false,
      "seq_attention_batch_size": 200
    }
}

Thank you for your help!

Mency