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BSDExabio / PSP

protein structure prediction
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Use --preset=casp14 instead of --preset=reduced_dbs #10

Closed markcoletti closed 3 years ago

markcoletti commented 3 years ago

Mu 12:59 PM use model_[1-5]_ptmis preferred. It has extra features that are useful for applications. Also, please try --preset=casp14 instead of --preset=reduced_dbs, this option will increase the run time dramatically, so test this second option later and it may improve the model quality a little.

I may want to add --preset as a command line argument to support quickly changing presets.

FreshAirTonight commented 3 years ago

Yes. This is good idea.

markcoletti commented 3 years ago

Added --preset and --feature-dir command line options for alphafoldtaskmgr.py.

markcoletti commented 3 years ago

Works! Though had to make a side excursion to fixed a shared library dependency problem that cropped up. Closing and merging in to main branch.