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Scoring after HBNet

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Scoring after HBNet

Hi all,

I've recently been asked to try to use RosettaScripts for some enzyme design. In this particular case I am trying to use the HBNet mover to predict hydrogen bond network mutations. I have created scripts with just the HBNet mover and also calling the Multiple Pose mover afterwards. However, I am having the same issue. I don't know how to score the resulting binary silent file.

I am trying to select the top 5 results and extract their PDBs.

Some common errors include:

 Number of atoms in pose and silent file disagree! Attempting to continue ... [ WARNING ]    (in residue ZN at 122  natoms_pose=5atm_seqpos 122  natoms_struct=0) [ WARNING ] Likely explanations: [ WARNING ]     1. You are trying to extract, with residue type set A, a silent file created with residue type set B. [ WARNING ]     2. The database has been updated since your silent file was made, meaning the definition of this RT has drifted. [ WARNING ]     3. You have passed an argument to -database that indicates a database out of sync with your chosen executable.

As well as:

ERROR: Illegal attempt to score with non-identical atom set between pose and etable
    pose   atom_type_set: 'centroid'
    etable atom_type_set: 'fa_standard'

When looking around the forums to see others' problems a lot mentioned that this could be due to centroid/full atom representation conflicts. However, I have not been able to resolve this conflict using the suggestions from those posts.

Please help me



Post Situation: 
Wed, 2020-07-01 10:49