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Why does pLDDT get lower with the increase of recycle? Shouldn't the confidence level get higher with recycle #242

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15019669985 opened this issue Jul 2, 2024 · 0 comments

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@15019669985
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2024-06-22 02:36:48,732 Query 1/2411: D
DRAMP21215
(length 4)
coMPLETE: 100%|/11//111/1/11l 150/15o [elapsed: o0:02 remaini
2024-06-22 02:37:04,806 Padding length to 14
2024-06-22 02:42:02,380 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=66.9 pTM=0.0864
2024-06-22 02:46:21,907 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=28.6 pTM=0.00161 tol=3.87
2024-06-22 02:50:44,827 alphafold2_ptm_model_1_seed_000 recycle=2 pLDDT=36 pTM=0.00242 tol=17
2024-06-22 02:55:10,542 alphafold2_ptm_model_1_seed_000 recycle=3 pLDDT=16 pTM=0.000763 tol=16.2
2024-06-22 02:55:10,544 alphafold2_ptm_model_1_seed_000 took 1085.7s (3 recycles)
2024-06-22 02:55:10,773 reranking models by 'plddt' metric
2024-06-22 02:55:14,200 Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
2024-06-22 02:55:41,239 Relaxation took 30.5s
2024-06-22 02:55:41,240 rank_001_alphafold2_ptm_model_1_seed_000 pLDDT=16 pTM=0.000763
2024-06-22 02:55:41,914 Query 2/2411: DRAMP04172 (length 5)
COMPLETE: 1OO%I
150/150 [elapsed: 00:01 remaini

Is it because my sequence is too short, or is it because I just used the cpu

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