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Model 2 and 3 Not Created

Open christos-efthymiou opened this issue 3 years ago • 2 comments

Expected Behavior

In the Run Prediction step, model 1 is created without issue within approximately 450 seconds. I would expect models 2 and 3 to also be accomplished within a similar timeframe.

Current Behavior

Models 2 and 3 are not created in the Run Prediction step. I have tried several times and the colab notebook times out despite using Colab Pro. The rest of the program also does not run as a consequence

Steps to Reproduce (for bugs)

Please make sure to reproduce the issue after a "Factory Reset" in Colab. If running locally ypdate you local installation colabfold_batch to the newest version. Please provide your input if you can share it.

The input sequences are (yes, the second and third are the same) KDSTGKCGPPPPIDNGDITSFPLSVYAPASSVEYQCQNLYQLEGNKRITCRNGQWSEPPKCLHPCVISREIMENYNIALRWTAKQKLYSRTGESVEFVCKRGYRLSSRSHTLRTTCWDGKLEYPTCAKR:HLIVTPSGCGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLCGAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDICEEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPDHQELNLDVSLQLPSR:HLIVTPSGCGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLCGAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDICEEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPDHQELNLDVSLQLPSR

use_amber is checked, and then I hit runtime - run all.

ColabFold Output (for bugs)

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Context

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Your Environment

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christos-efthymiou avatar Feb 20 '22 16:02 christos-efthymiou

Does it work when amber is disabled? Maybe we have a bug with the relaxation step.

milot-mirdita avatar Feb 20 '22 16:02 milot-mirdita

Yes it does, but there is severe clashing so amber is needed to prevent this.

christos-efthymiou avatar Feb 20 '22 16:02 christos-efthymiou