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Hi, as described in the README, if the purpose is to make predictions for reverse mutations, add the --reverse flag to the gends.py command: gends.py -i VARIANT_LIST -o test_reverse_stacked_16_1 -p /path/to/where/all/XXXXX_relaxed.pdb/is/stored --boxsize 16 --voxelsize 1 --reverse
I hope this helps.
Do you mind sharing how is reverse mutation prediction performed?
Thanks.
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