hDear Modellers
A very simple question: Is it possible to resume a crashed Modeller job? I was running a more or less standard automodel job, but my computer crashed after building 200 out of 250 models. Hence, is it possible to resume this job and thereby evaluating and ranking all 250 build models via e.g. the DOPE score?
BW
Søren S Hansen
---------------------------------------------------------------------------- -----
Søren Skovstrup Hansen, Ph.D. student, M.Sc.
Biostructural Research Group, Department of Medicinal Chemistry
Faculty of Pharmaceutical Sciences, University of Copenhagen
DK-2100 Copenhagen, Denmark
Phone office (+45) 3533 6108
Mobile (+45) 2090 9866
Søren Skovstrup Hansen wrote: > A very simple question: Is it possible to resume a crashed Modeller job? > I was running a more or less standard automodel job, but my computer > crashed after building 200 out of 250 models. Hence, is it possible to > resume this job and thereby evaluating and ranking all 250 build models > via e.g. the DOPE score?
There is no automatic method. To get the remaining 50 models, you could simply modify your Python script and rerun it (set a.starting_model=201). You can extract the DOPE scores from the logfile of the original run - but if you don't have that, you can recalculate the scores using a script similar to that at http://salilab.org/modeller/9v7/manual/node242.html
Ben Webb, Modeller Caretaker