rosettacommons / fvhallucinator Goto Github PK

Hello, author, when I reproduce your code, I encountered some problems, I hope to get your help, the problems are as follows:

1. When I was running the script 03a_forward_folding.sh, because I did not have a cpu cluster, I deleted
   --slurm_cluster_config $PATH_TO_REPO/examples/slurm_config.json
   --slurm_scale $DECOYS
   These two parameters, after code adjustment, I successfully ran the code on a single card GPU, but the results obtained are rather strange, which are different from the results in your project. The scripts 01_run_hallucination.sh and 02_postprocess.sh can all succeed Runs, but 03a this script turns out weird, I hope you can help me point out my mistake.
   
   
   

2. I cannot get the PDB file TARGET_PDB=$PATH_TO_REPO/data/herceptin_dataset/1n8z_Ag_trunc.pdb in the script 03b_virtual_screening.sh, because the data address given in your project is invalid, so I hope you can give me this file access to.
   Thank you very much for being here, I look forward to hearing from you, thank you very much.