Changes between Version 1 and Version 2 of Ticket #5043, comment 16


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Timestamp:
Sep 17, 2021, 2:23:54 AM (4 years ago)
Author:
Tom Goddard

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  • Ticket #5043, comment 16

    v1 v2  
    1 Revised colab script to save alignments and restart using saved alignments and models.  This allows restarting if an error occurs without recomputing results that took a long time.  Tried it on 984 initial residues of myomesin and it got through all 5 models in 4 hours but then disconnected probably because computer had been sleeping a few hours.  Reconnected and restarted and it has been energy minimizing for 52 minutes so far.
     1Revised colab script to save alignments and restart using saved alignments and models.  This allows restarting if an error occurs without recomputing results that took a long time.  Tried it on 984 initial residues of myomesin and it got through all 5 models in 4 hours but then disconnected probably because computer had been sleeping a few hours.  Reconnected and restarted and it has been energy minimizing for 60 minutes so far.
     2
     3May need to add max_iterations = 1000(?) to script to get minimization to complete.  Currently it uses max_iterations = 0 which iterates until convergence.