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bad_models.txt
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bad_models.txt
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I got this error message when running the script to get DSSP and sol acc...
"""
Processing P0DTC9_IT_model5.pdb in /home/rpearson/research/23ValidationSet/ITResults2/output_models
invalid formatted floating point number '8.000-18'
Processing P31645_IT_model1.pdb in /home/rpearson/research/23ValidationSet/ITResults2/output_models
invalid formatted floating point number '6.000-'
Processing P63096_IT_model2.pdb in /home/rpearson/research/23ValidationSet/ITResults2/output_models
invalid formatted floating point number '.000-252'
Processing Q96EB6_IT_model1.pdb in /home/rpearson/research/23ValidationSet/ITResults2/output_models
invalid formatted floating point number '52.000 '
Processing Q9LT15_IT_model5.pdb in /home/rpearson/research/23ValidationSet/ITResults2/output_models
invalid formatted floating point number '.000-190'
Processing P03034_IT_model5.pdb in /home/rpearson/research/NegValSet/IT/output_models
invalid formatted floating point number '17 45.9'
Processing P52751_CIT_model4.pdb in /home/rpearson/research/PosValSet/CIT/output_models
invalid formatted floating point number '6 -61.36'
Processing Q95211_CIT_model2.pdb in /home/rpearson/research/PosValSet/CIT/output_models
invalid formatted floating point number '42 61.2'
Processing Q95211_CIT_model3.pdb in /home/rpearson/research/PosValSet/CIT/output_models
invalid formatted floating point number '632.000 '
Processing O14641_IT_model4.pdb in /home/rpearson/research/PosValSet/IT/output_models
invalid formatted floating point number '.750-277'
Processing P10636_IT_model4.pdb in /home/rpearson/research/PosValSet/IT/output_models
invalid formatted floating point number '043 1'
Processing P23907_IT_model3.pdb in /home/rpearson/research/PosValSet/IT/output_models
invalid formatted floating point number '69-81573'
"""
On May 07, 2023 re-ran all of these proteins in hopes to obtain better models. Oddly, only some of the run's models are effected.
Some error causes the co-ordinates to become absurdly high in value out of the blue. An adjacent residue could have normal coords.
If the re-run yields better models:
- run 3D_CNN evaluation
- make csv for the 3D_CNN evaluation
- run DSSP and ACC
- make csv for the dssp and acc